3-{[(11Z)-2-methyl-11H-indeno[1,2-b]quinolin-11-ylidene]methyl}pyridine

• ChemBase ID: 181920
• Molecular Formular: C23H16N2
• Molecular Mass: 320.38654
• Monoisotopic Mass: 320.13134852
• SMILES: C\1(=C/c2cnccc2)/c2c(nc3c(c2)cccc3)c2c1cc(cc2)C
• Canonical SMILES: Cc1ccc2c(c1)/C(=C/c1cccnc1)/c1c2nc2c(c1)cccc2
• InChI: InChI=1S/C23H16N2/c1-15-8-9-18-19(11-15)20(12-16-5-4-10-24-14-16)21-13-17-6-2-3-7-22(17)25-23(18)21/h2-14H,1H3/b20-12-
• InChIKey: ZJNZQGLGEJULHN-NDENLUEZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(11Z)-2-methyl-11H-indeno[1,2-b]quinolin-11-ylidene]methyl}pyridine
• IUPAC Traditional name: 3-{[(11Z)-2-methylindeno[1,2-b]quinolin-11-ylidene]methyl}pyridine

Database IDs

• PubChem SID: 164237830
• PubChem CID: 6053080

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1833577
• LogD (pH = 7.4): 5.258454
• Log P: 5.259519
• Molar Refractivity: 110.5773 cm^3
• Polarizability: 41.495327 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds