Basic information
- CAS
87896-38-6- Standard SMILES
N#CC1CC(c2ccccc2)Nc2cc(Oc3ccc4c(c3)NC(c3ccccc3)CC(C#N)N4)ccc2N1- InChIKey
XEUWCQPDKQCPQM-UHFFFAOYSA-N- Molecular formula
- C32H28N6O
- Average molar mass
- 512.6 g/mol
- Monoisotopic mass
- 512.23245954
Names & identifiers
- Preferred name
- 7,7'-Oxybis(4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)
- IUPAC
- 7-[(2-cyano-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)oxy]-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
Names & synonyms
87896-38-6DTXSID0010078397,7'-Oxybis(4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)RefChem:1074255DTXCID7014346857,7'-Oxybis(2,3,4,5-tetrahydro-4-phenyl-1H-1,5-benzodiazepine-2-carbonitrile)1H-1,5-BENZODIAZEPINE-2-CARBONITRILE, 7,7'-OXYBIS(2,3,4,5-TETRAHYDRO-4-PHENYL-
Database identifiers
- CAS
87896-38-6- PubChem CID
- 55765
- DTXSID
DTXSID001007839
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 825
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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