1,4-bis[(E)-2-phenylethenyl]benzene

• ChemBase ID: 296640
• Molecular Formular: C22H18
• Molecular Mass: 282.37832
• Monoisotopic Mass: 282.14085058
• SMILES: c1(ccccc1)/C=C/c1ccc(cc1)/C=C/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccccc1
• InChI: InChI=1S/C22H18/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-18H/b13-11+,14-12+
• InChIKey: IJAAWBHHXIWAHM-PHEQNACWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis[(E)-2-phenylethenyl]benzene
• IUPAC Traditional name: 1,4-bis[(E)-2-phenylethenyl]benzene
• Synonyms: 1,4-Di(trans-beta-styryl)benzene; trans-4-beta-Styryl-trans stilbene; 1,4-Bis(trans-2-phenylethenyl)benzene; 1,4-双(反-2-苯基乙烯基)苯

Database IDs

• CAS Number: 1608-41-9
• MDL Number: MFCD00154950
• PubChem SID: 180682171
• PubChem CID: 640299

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.652928
• LogD (pH = 7.4): 6.652928
• Log P: 6.652928
• Molar Refractivity: 96.9676 cm^3
• Polarizability: 36.948803 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 264-266°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%