6-phenylquinoline

• ChemBase ID: 289735
• Molecular Formular: C15H11N
• Molecular Mass: 205.25454
• Monoisotopic Mass: 205.08914936
• SMILES: c12cc(c3ccccc3)ccc1nccc2
• Canonical SMILES: c1ccc(cc1)c1ccc2c(c1)cccn2
• InChI: InChI=1S/C15H11N/c1-2-5-12(6-3-1)13-8-9-15-14(11-13)7-4-10-16-15/h1-11H
• InChIKey: OKLKICXAGRLLGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylquinoline
• IUPAC Traditional name: 6-phenylquinoline
• Synonyms: 6-Phenylquinoline

Database IDs

• CAS Number: 612-95-3
• PubChem SID: 180675266
• PubChem CID: 69168

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7438974
• LogD (pH = 7.4): 3.7776759
• Log P: 3.7781258
• Molar Refractivity: 65.1155 cm^3
• Polarizability: 28.22392 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%