6-isocyano-18-phenyl-8-oxa-2,20,21-triazatetracyclo[12.6.1.13,7.015,19]docosa-1(21),3(22),4,6,10,14,19-heptaene (CHEM337462)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 02:05:52 UTC | ||||||||
| Update Date | 2026-08-31 02:05:52 UTC | ||||||||
| Accession Number | CHEM337462 | ||||||||
| Identification | |||||||||
| Common Name | 6-isocyano-18-phenyl-8-oxa-2,20,21-triazatetracyclo[12.6.1.13,7.015,19]docosa-1(21),3(22),4,6,10,14,19-heptaene | ||||||||
| Class | Small Molecule | ||||||||
| Description | 6-isocyano-18-phenyl-8-oxa-2,20,21-triazatetracyclo[12.6.1.13,7.015,19]docosa-1(21),3(22),4,6,10,14,19-heptaene is a chemical compound with the formula C25H22N4O. It has an average molecular weight of 394.50 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H22N4O | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 394.179 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 6-isocyano-18-phenyl-8-oxa-2,20,21-triazatetracyclo[12.6.1.13,7.015,19]docosa-1(21),3(22),4,6,10,14,19-heptaene | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [C-]#[N+]C1=C2C=C(C=C1)NC3=NC(=C4CCC(C4=N3)C5=CC=CC=C5)CCC=CCO2 | ||||||||
| InChI Identifier | InChI=1S/C25H22N4O/c1-26-22-14-11-18-16-23(22)30-15-7-3-6-10-21-20-13-12-19(17-8-4-2-5-9-17)24(20)29-25(27-18)28-21/h2-5,7-9,11,14,16,19H,6,10,12-13,15H2,(H,27,28,29) | ||||||||
| InChI Key | ADKBVTRMZBGEPJ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
