2-[(E)-2-(4-{4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl}phenyl)ethenyl]-1,4-dimethylbenzene

• ChemBase ID: 302138
• Molecular Formular: C32H30
• Molecular Mass: 414.5806
• Monoisotopic Mass: 414.23475096
• SMILES: Cc1cc(c(cc1)C)/C=C/c1ccc(cc1)c1ccc(cc1)/C=C/c1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(cc1/C=C/c1ccc(cc1)c1ccc(cc1)/C=C/c1cc(C)ccc1C)C
• InChI: InChI=1S/C32H30/c1-23-5-7-25(3)31(21-23)19-13-27-9-15-29(16-10-27)30-17-11-28(12-18-30)14-20-32-22-24(2)6-8-26(32)4/h5-22H,1-4H3/b19-13+,20-14+
• InChIKey: AMDSCXLLKXHWOJ-IWGRKNQJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-(4-{4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl}phenyl)ethenyl]-1,4-dimethylbenzene
• IUPAC Traditional name: 2-[(E)-2-(4-{4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl}phenyl)ethenyl]-1,4-dimethylbenzene
• Synonyms: BDB; 4,4'-Bis(2,5-dimethylstyryl)biphenyl; 4,4'-二(2,5-二甲基苯乙烯基)联苯

Database IDs

• CAS Number: 72814-85-8
• EC Number: 276-866-0
• MDL Number: MFCD00051223
• Beilstein Number: 6526037

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.353839
• LogD (pH = 7.4): 10.353839
• Log P: 10.353839
• Molar Refractivity: 142.2686 cm^3
• Polarizability: 55.107388 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 196-200°C

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99+%