Basic information
- CAS
71459-28-4- Standard SMILES
CSc1nc(Nc2cccc3c2C(=O)c2cccc(NC(=O)c4ccccc4)c2C3=O)nc(Nc2cccc3c2C(=O)c2cccc(NC(=O)c4ccccc4)c2C3=O)n1- InChIKey
PCSLQKFKSMBVDF-UHFFFAOYSA-N- Molecular formula
- C46H29N7O6S
- Average molar mass
- 807.8 g/mol
- Monoisotopic mass
- 807.19000284
Names & identifiers
- Preferred name
- N,N'-((6-(methylthio)-1,3,5-triazine-2,4-diyl)bis(imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)))bis(benzamide)
- IUPAC
- N-[5-[[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide
Names & synonyms
71459-28-48T7BEA4QSTEINECS 275-462-1benzamide, n,n'-[[6-(methylthio)-1,3,5-triazine-2,4-diyl]bis[imino(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]]bis-DTXSID1072349Benzamide, N,N'-((6-(methylthio)-1,3,5-triazine-2,4-diyl)bis(imino(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)))bis-N,N'-((6-(Methylthio)-1,3,5-triazine-2,4-diyl)bis(imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)))bis(benzamide)N,N'-[[6-(methylthio)-1,3,5-triazine-2,4-diyl]bis[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]bis(benzamide)RefChem:821595DTXCID2047016275-462-1UNII-8T7BEA4QST
Show more names
NS00020878N,N'-{[6-(Methylsulfanyl)-1,3,5-triazine-2,4-diyl]bis[azanediyl(9,10-dioxo-9,10-dihydroanthracene-5,1-diyl)]}dibenzamide
Database identifiers
- CAS
71459-28-4
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,520
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzamide, N,N'-[[6-(methylthio)-1,3,5-triazine-2,4-diyl]bis[imino(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]]bis-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, N,N'-[[6-(methylthio)-1,3,5-triazine-2,4-diyl]bis[imino(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]]bis-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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