(triphenylethenyl)benzene

• ChemBase ID: 78411
• Molecular Formular: C26H20
• Molecular Mass: 332.437
• Monoisotopic Mass: 332.15650064
• SMILES: c1c(cccc1)/C(=C(/c1ccccc1)\c1ccccc1)/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C(=C(\c1ccccc1)/c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C26H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
• InChIKey: JLZUZNKTTIRERF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (triphenylethenyl)benzene
• IUPAC Traditional name: tetraphenylethylene
• Synonyms: 1,1,2,2-Tetraphenylethylene; 1,1,2,2-Tetraphenylethene; Tetraphenylethylene; Tetraphenylethylene; 1,1,2,2-四苯乙烯; 四苯基乙烯

Database IDs

• CAS Number: 632-51-9
• EC Number: 211-179-1
• MDL Number: MFCD00004764
• Beilstein Number: 1913548
• PubChem SID: 24900047; 24889036; 162043178
• PubChem CID: 69437

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.179484
• LogD (pH = 7.4): 7.179484
• Log P: 7.179484
• Molar Refractivity: 128.6182 cm^3
• Polarizability: 42.949463 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 222-224 °C(lit.); 222-224°C; 222-226°C; 223-225 °C
• Boiling Point: 420 °C(lit.); 420°C

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (HPLC); 95+%; 98%
• Grade: purum
• Linear Formula: (C6H5)2C=C(C6H5)2

DETAILS

Sigma Aldrich - T26204

Packaging
25 g in poly bottle
5 g in glass bottle

REFERENCES

• Electron-transfer agent in the Wurtz-type coupling of benzyl halides: J. Am. Chem. Soc., 83, 943 (1961).
• Catalyst (cf Cu salts), for decomposition of various diazoalkanes to carbenoids: J. Am. Chem. Soc., 96, 8109 (1974).