2-phenylindolizine

• ChemBase ID: 113144
• Molecular Formular: C14H11N
• Molecular Mass: 193.24384
• Monoisotopic Mass: 193.08914936
• SMILES: n12c(cc(c1)c1ccccc1)cccc2
• Canonical SMILES: c1ccc(cc1)c1cc2n(c1)cccc2
• InChI: InChI=1S/C14H11N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-11H
• InChIKey: JMCYJDYOEWQZDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylindolizine
• IUPAC Traditional name: 2-phenylindolizine
• Synonyms: 2-Phenylindolizine

Database IDs

• CAS Number: 25379-20-8
• MDL Number: MFCD00014558
• PubChem SID: 162098408
• PubChem CID: 96128

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2569852
• LogD (pH = 7.4): 3.2569852
• Log P: 3.2569852
• Molar Refractivity: 63.2769 cm^3
• Polarizability: 26.052029 Å^3
• Polar Surface Area: 4.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.876

Product Information

• Purity: 95+%