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632-51-9 molecular structure
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(triphenylethenyl)benzene

ChemBase ID: 78411
Molecular Formular: C26H20
Molecular Mass: 332.437
Monoisotopic Mass: 332.15650064
SMILES and InChIs

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

Cite this record

CBID:78411 http://www.chembase.cn/molecule-78411.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.179484  LogD (pH = 7.4) 7.179484 
Log P 7.179484  Molar Refractivity 128.6182 cm3
Polarizability 42.949463 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
222-224 °C(lit.) expand Show data source
222-224°C expand Show data source
222-226°C expand Show data source
223-225 °C expand Show data source
Boiling Point
420 °C(lit.) expand Show data source
420°C expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (HPLC) expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
(C6H5)2C=C(C6H5)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T26204 external link
Packaging
25 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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).
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PATENTS

PATENTS

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INTERNET

INTERNET

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