7-[[4-[[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid (CHEM349842)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 21:10:32 UTC | ||||||||
| Update Date | 2026-08-31 21:10:32 UTC | ||||||||
| Accession Number | CHEM349842 | ||||||||
| Identification | |||||||||
| Common Name | 7-[[4-[[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 7-[[4-[[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid is a chemical compound with the formula C36H26FN9O15S5. With an average molecular weight of 1,004 g/mol, 7-[[4-[[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C36H26FN9O15S5 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1003.014 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 7-[[4-[[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C=CC(=C1)NC2=NC(=NC(=N2)F)NC3=CC=CC=C3S(=O)(=O)O)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC7=C(C=C(C=C7S(=O)(=O)O)S(=O)(=O)O)C(=C6)S(=O)(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C36H26FN9O15S5/c1-18-12-19(38-35-40-34(37)41-36(42-35)39-30-4-2-3-5-31(30)64(53,54)55)6-9-27(18)44-46-28-10-11-29(24-15-21(62(47,48)49)7-8-23(24)28)45-43-20-13-25-26(32(14-20)65(56,57)58)16-22(63(50,51)52)17-33(25)66(59,60)61/h2-17H,1H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H2,38,39,40,41,42) | ||||||||
| InChI Key | QQLXHXWMCOEODT-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 | |||||||||
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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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
