1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]thiourea (CHEM351824)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 00:59:22 UTC | ||||||||
| Update Date | 2026-09-01 00:59:22 UTC | ||||||||
| Accession Number | CHEM351824 | ||||||||
| Identification | |||||||||
| Common Name | 1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]thiourea | ||||||||
| Class | Small Molecule | ||||||||
| Description | 1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]thiourea is a chemical compound with the formula C42H34N6S2. With an average molecular weight of 686.90 g/mol, 1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]thiourea is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C42H34N6S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 686.229 g/mol | ||||||||
| CAS Registry Number | 130189-65-0 | ||||||||
| IUPAC Name | 1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]thiourea | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(C4=C(C=CC(=C4)NC(=S)NC5=CC=C(C=C5)C)N=C3C6=CC=CC=C6)C7=CC=CC=C7 | ||||||||
| InChI Identifier | InChI=1S/C42H34N6S2/c1-27-13-17-31(18-14-27)43-41(49)45-33-21-23-37-35(25-33)39(29-9-5-3-6-10-29)48-38-24-22-34(46-42(50)44-32-19-15-28(2)16-20-32)26-36(38)40(47-37)30-11-7-4-8-12-30/h3-26H,1-2H3,(H2,43,45,49)(H2,44,46,50) | ||||||||
| InChI Key | SJRBNEXVVNAXFN-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 | ||||||||
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| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
