N,N'-((9,10-Dihydro-2-methyl-9,10-dioxoanthracene-1,3-diyl)bis(imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)))bis(benzamide)
Basic information
- CAS
83721-60-2- Standard SMILES
Cc1c(Nc2ccc(NC(=O)c3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc2c(c1Nc1ccc(NC(=O)c3ccccc3)c3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O- InChIKey
CQKFDYBUEHOIFK-UHFFFAOYSA-N- Molecular formula
- C57H34N4O8
- Average molar mass
- 902.9 g/mol
- Monoisotopic mass
- 902.23766406
Overview
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Names & identifiers
- Preferred name
- N,N'-((9,10-Dihydro-2-methyl-9,10-dioxoanthracene-1,3-diyl)bis(imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)))bis(benzamide)
- IUPAC
- N-[4-[[4-[(4-benzamido-9,10-dioxoanthracen-1-yl)amino]-3-methyl-9,10-dioxoanthracen-2-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide
Names & synonyms
83721-60-2N,N'-(((2-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,3-diyl)bis(azanediyl))bis(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl))dibenzamideEINECS 280-586-4N,N'-((9,10-Dihydro-2-methyl-9,10-dioxoanthracene-1,3-diyl)bis(imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)))bis(benzamide)NS00058885
Database identifiers
- CAS
83721-60-2- PubChem CID
- 44148367
- EC Number
- 280-586-4
- Nikkaji
- J296.157A
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 2,040
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