1-phenyl-1H-indole

• ChemBase ID: 294062
• Molecular Formular: C14H11N
• Molecular Mass: 193.24384
• Monoisotopic Mass: 193.08914936
• SMILES: c1cc2c(cccc2)n1c1ccccc1
• Canonical SMILES: c1ccc(cc1)n1ccc2c1cccc2
• InChI: InChI=1S/C14H11N/c1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15/h1-11H
• InChIKey: YBFCBQMICVOSRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-1H-indole
• IUPAC Traditional name: 1-phenylindole
• Synonyms: 1-Phenyl-1H-indole

Database IDs

• CAS Number: 16096-33-6
• MDL Number: MFCD00123280
• PubChem SID: 180679593
• PubChem CID: 182029

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6564
• LogD (pH = 7.4): 3.6564
• Log P: 3.6564
• Molar Refractivity: 72.1381 cm^3
• Polarizability: 26.061857 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%