2,4-Diphenyl-1H-1,5-benzodiazepine

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Basic information

CAS: 5450-63-5
Standard SMILES: C1=C(c2ccccc2)Nc2ccccc2N=C1c1ccccc1
InChIKey: PZRXQNCXDUBZHC-UHFFFAOYSA-N
Molecular formula: C21H16N2
Average molar mass: 296.4 g/mol
Monoisotopic mass: 296.13134852

Names & identifiers

Preferred name: 2,4-Diphenyl-1H-1,5-benzodiazepine
IUPAC: 2,4-diphenyl-1H-1,5-benzodiazepine

Names & synonyms

2,4-Diphenyl-1H-1,5-benzodiazepine5450-63-538P7SDH9Z1UNII-38P7SDH9Z1NSC 10199DTXSID10202912NSC-101991H-1,5-BENZODIAZEPINE, 2,4-DIPHENYL-RefChem:82607DTXCID401254032,4-Diphenyl-1H-benzo[b][1,4]diazepine2,4-diphenyl-1,5-benzodiazepine

Show more names

47301-30-4NSC10199HMS2582O14MLS000701520CHEMBL1535067REGID_for_CID_407897NCGC00247172-01SMR000225267

Database identifiers

CAS: 5450-63-5
PubChem CID: 407897
DTXSID: DTXSID10202912
ChEMBL: CHEMBL1535067
UNII: 38P7SDH9Z1
Nikkaji: J609.281K

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 24.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 452

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Compound notes

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