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

CAS: 87896-40-0

Molecular Formula	`C33H28N6O`
Molecular Weight	524.6 g/mol
LogP	6.2
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	524.2325
Heavy Atoms	40
Complexity	894.0

Chemical Identifiers

CAS Number	87896-40-0
SMILES	`C1C(NC2=C(C=C(C=C2)C(=O)C3=CC4=C(C=C3)NC(CC(N4)C5=CC=CC=C5)C#N)NC1C6=CC=CC=C6)C#N`
InChIKey	`DLDMTAZQYNDEHN-UHFFFAOYSA-N`

📖 Product Overview

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 (CAS: 87896-40-0) is a chemical compound with molecular formula C33H28N6O and molecular weight 524.6 g/mol. Its IUPAC systematic name is 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. LogP 6.2 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 524.2325 Heavy Atoms 40 Complexity 894.0 InChI Key: DLDMTAZQYNDEHN-UHFFFAOYSA-N. SMILES: C1C(NC2=C(C=C(C=C2)C(=O)C3=CC4=C(C=C3)NC(CC(N4)C5=CC=CC=C5)C#N)NC1C6=CC=CC=C6)C#N.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 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.

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