1-methyl-4-(2-{4-[2-(4-methylphenyl)ethenyl]phenyl}ethenyl)benzene

• ChemBase ID: 90757
• Molecular Formular: C24H22
• Molecular Mass: 310.43148
• Monoisotopic Mass: 310.1721507
• SMILES: Cc1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccc(cc1)C
• InChI: InChI=1S/C24H22/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-18H,1-2H3
• InChIKey: BCASZEAAHJEDAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(2-{4-[2-(4-methylphenyl)ethenyl]phenyl}ethenyl)benzene
• IUPAC Traditional name: 1-methyl-4-(2-{4-[2-(4-methylphenyl)ethenyl]phenyl}ethenyl)benzene
• Synonyms: 1,4-Bis[2-(4-methylphenyl)ethenyl]benzene; 1,4-Bis(4-methylstyryl)benzene; 1,1'-(Benzene-1,4-diyldiethene-2,1-diyl)bis(4-methylbenzene); 1,4-Bis[2-(4-methylphenyl)vinyl]benzene

Database IDs

• CAS Number: 76439-00-4
• PubChem SID: 162077488
• PubChem CID: 6139005

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.6797705
• LogD (pH = 7.4): 7.6797705
• Log P: 7.6797705
• Molar Refractivity: 107.05 cm^3
• Polarizability: 40.4703 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold