2-(2-phenylphenyl)-3-(pyrrolidine-1-carbonyl)pyridine

• ChemBase ID: 562428
• Molecular Formular: C22H20N2O
• Molecular Mass: 328.407
• Monoisotopic Mass: 328.15756327
• SMILES: c1(C(=O)N2CCCC2)c(c2c(c3ccccc3)cccc2)nccc1
• Canonical SMILES: O=C(c1cccnc1c1ccccc1c1ccccc1)N1CCCC1
• InChI: InChI=1S/C22H20N2O/c25-22(24-15-6-7-16-24)20-13-8-14-23-21(20)19-12-5-4-11-18(19)17-9-2-1-3-10-17/h1-5,8-14H,6-7,15-16H2
• InChIKey: YHJYETINCCVCAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylphenyl)-3-(pyrrolidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-(2-phenylphenyl)-3-(pyrrolidine-1-carbonyl)pyridine
• Synonyms: 2-biphenyl-2-yl-3-(pyrrolidin-1-ylcarbonyl)pyridine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.82
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 0
• Log P: 2.61

JChem

• Molar Refractivity: 100.2143 cm^3
• Polarizability: 40.957523 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.137633
• LogD (pH = 7.4): 4.139639
• Log P: 4.139664