1H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-carbonylbis(2,3,4,5-tetrahydro-4-phenyl-
Basic information
- CAS
87896-40-0- Standard SMILES
N#CC1CC(c2ccccc2)Nc2cc(C(=O)c3ccc4c(c3)NC(c3ccccc3)CC(C#N)N4)ccc2N1- InChIKey
DLDMTAZQYNDEHN-UHFFFAOYSA-N- Molecular formula
- C33H28N6O
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.23245954
Names & identifiers
- Preferred name
- 1H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-carbonylbis(2,3,4,5-tetrahydro-4-phenyl-
- IUPAC
- 7-(2-cyano-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carbonyl)-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
Names & synonyms
87896-40-01H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-carbonylbis(2,3,4,5-tetrahydro-4-phenyl-RefChem:1057749AN-177,7'-Carbonylbis(2,3,4,5-tetrahydro-4-phenyl-1H-1,5-benzodiazepine-2-carbonitrile)SCHEMBL29392468DTXSID0010078417,7'-carbonylbis(4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)
Database identifiers
- CAS
87896-40-0- PubChem CID
- 55766
- DTXSID
DTXSID001007841
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 894
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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