4-phenyl-1H-indole

• ChemBase ID: 242333
• Molecular Formular: C14H11N
• Molecular Mass: 193.24384
• Monoisotopic Mass: 193.08914936
• SMILES: c12c(c3ccccc3)cccc1[nH]cc2
• Canonical SMILES: c1ccc(cc1)c1cccc2c1cc[nH]2
• InChI: InChI=1S/C14H11N/c1-2-5-11(6-3-1)12-7-4-8-14-13(12)9-10-15-14/h1-10,15H
• InChIKey: LCTDIQQSJICLJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-1H-indole
• IUPAC Traditional name: 4-phenyl-1H-indole
• Synonyms: 4-phenyl-1H-indole

Database IDs

• MDL Number: MFCD13177532
• PubChem SID: 164298243
• PubChem CID: 15806298

CALCULATED PROPERTIES

• Acid pKa: 16.292322
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 3.7192333
• LogD (pH = 7.4): 3.7192333
• Log P: 3.7192333
• Molar Refractivity: 62.2807 cm^3
• Polarizability: 26.813421 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.02

Product Information

• Purity: 95%