1,2-diphenyl-1H-1,3-benzodiazole

• ChemBase ID: 798572
• Molecular Formular: C19H14N2
• Molecular Mass: 270.32786
• Monoisotopic Mass: 270.11569846
• SMILES: c12n(c(nc1cccc2)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)n1c(nc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C19H14N2/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16/h1-14H
• InChIKey: ZLGVZKQXZYQJSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diphenyl-1H-1,3-benzodiazole
• IUPAC Traditional name: 1,2-diphenyl-1,3-benzodiazole
• Synonyms: 1,2-diphenyl-1h-benzimidazole

Database IDs

• CAS Number: 2622-67-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1043434
• LogD (pH = 7.4): 5.165072
• Log P: 5.165909
• Molar Refractivity: 105.0637 cm^3
• Polarizability: 35.466053 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%