2-(4-phenylphenyl)-1H-indole

• ChemBase ID: 73578
• Molecular Formular: C20H15N
• Molecular Mass: 269.3398
• Monoisotopic Mass: 269.12044949
• SMILES: [nH]1c(cc2ccccc12)c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C20H15N/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)20-14-18-8-4-5-9-19(18)21-20/h1-14,21H
• InChIKey: IZQXDFSSLHWRBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)-1H-indole
• IUPAC Traditional name: 2-(4-phenylphenyl)-1H-indole
• Synonyms: 2-Biphenyl-4-yl-1H-indole

Database IDs

• CAS Number: 21470-37-1
• MDL Number: MFCD00417190
• PubChem SID: 162038497
• PubChem CID: 392904

CALCULATED PROPERTIES

• Acid pKa: 15.093653
• 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: 37.95339 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive