Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 02:33:17 UTC |
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Update Date | 2016-11-09 01:13:42 UTC |
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Accession Number | CHEM007944 |
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Identification |
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Common Name | Naphtho(2,3-j)fluoranthene |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Not Available |
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Chemical Formula | C24H14 |
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Average Molecular Mass | 302.376 g/mol |
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Monoisotopic Mass | 302.110 g/mol |
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CAS Registry Number | 205-83-4 |
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IUPAC Name | hexacyclo[14.7.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene |
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Traditional Name | hexacyclo[14.7.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene |
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SMILES | C1=CC=C2C=C3C4=C(C=CC3=CC2=C1)C1=CC=CC2=C1C4=CC=C2 |
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InChI Identifier | InChI=1S/C24H14/c1-2-6-17-14-22-18(13-16(17)5-1)11-12-20-19-9-3-7-15-8-4-10-21(23(15)19)24(20)22/h1-14H |
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InChI Key | ZQYVVUIWXIUAKD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Anthracenes |
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Sub Class | Not Available |
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Direct Parent | Anthracenes |
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Alternative Parents | |
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Substituents | - Anthracene
- Aromatic hydrocarbon
- Polycyclic hydrocarbon
- Unsaturated hydrocarbon
- Hydrocarbon
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0009000000-be8a8239568dd3caeafd | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0009000000-43b4857f5a9814c75e16 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ufr-0159000000-4dcdcb6ff32bebe6285b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0009000000-8f08daedb4d93b297c22 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0009000000-8f08daedb4d93b297c22 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0019000000-44b4b75591278a23efe2 | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | Not Available |
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PubChem Compound ID | 6428083 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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