2,6-bis[(E)-2-phenylethenyl]pyridine

• ChemBase ID: 180632
• Molecular Formular: C21H17N
• Molecular Mass: 283.36638
• Monoisotopic Mass: 283.13609955
• SMILES: n1c(/C=C/c2ccccc2)cccc1/C=C/c1ccccc1
• Canonical SMILES: c1cc(/C=C/c2ccccc2)nc(c1)/C=C/c1ccccc1
• InChI: InChI=1S/C21H17N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-17H/b16-14+,17-15+
• InChIKey: GFUKPDBFDRKRRO-YXLFCKQPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis[(E)-2-phenylethenyl]pyridine
• IUPAC Traditional name: 2,6-bis[(E)-2-phenylethenyl]pyridine

Database IDs

• PubChem SID: 164236542
• PubChem CID: 5899185

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.8793087
• LogD (pH = 7.4): 5.9022765
• Log P: 5.902578
• Molar Refractivity: 93.9165 cm^3
• Polarizability: 35.980713 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds