2,3-diphenyl-1H-indole

• ChemBase ID: 108682
• Molecular Formular: C20H15N
• Molecular Mass: 269.3398
• Monoisotopic Mass: 269.12044949
• SMILES: [nH]1c2ccccc2c(c2ccccc2)c1c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1c([nH]c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
• InChIKey: GYGKJNGSQQORRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diphenyl-1H-indole
• IUPAC Traditional name: 2,3-diphenyl-1H-indole
• Synonyms: 2,3-DIPHENYLINDOLE

Database IDs

• CAS Number: 3469-20-3
• PubChem SID: 162095642
• PubChem CID: 77020

CALCULATED PROPERTIES

• Acid pKa: 14.931648
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 5.2864594
• LogD (pH = 7.4): 5.2864594
• Log P: 5.2864594
• Molar Refractivity: 87.2944 cm^3
• Polarizability: 37.960384 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false