1-(4-Phenylcyclopenta-1,3-dienyl)benzene
Basic information
- CAS
4982-34-7- Standard SMILES
C1=C(c2ccccc2)CC(c2ccccc2)=C1- InChIKey
FTXLGZQLFOVOKK-UHFFFAOYSA-N- Molecular formula
- C17H14
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.10955045
Names & identifiers
- Preferred name
- 1-(4-Phenylcyclopenta-1,3-dienyl)benzene
- IUPAC
- (4-phenylcyclopenta-1,3-dien-1-yl)benzene
- English name
- (4-phenyl-1-cyclopenta-1,3-dienyl)benzene
- Molecular formula
- C17H14
- Molecular weight
- 218.29
Names & synonyms
1-(4-phenylcyclopenta-1,3-dienyl)benzene4982-34-7(4-phenylcyclopenta-1,3-dien-1-yl)benzene1,4-diphenylcyclopentadieneSCHEMBL3982745SCHEMBL27745836DTXSID40288663HMS1666G141,4-Diphenylcyclopenta-1,3-dieneNSC57276CCG-42388NSC-57276
Show more names
1,4-diphenyl-1,3-cyclopentadiene(4-phenyl-1-cyclopenta-1,3-dienyl)benzeneBenzene, 1,1'-(3,5-cyclopentadiene-1,3-diyl)bis-
DS-0067161,1'-(Cyclopenta-3,5-diene-1,3-diyl)dibenzeneBenzene,1,1-(3,5-cyclopentadiene-1,3-diyl)bis-SR-01000632391-1
Database identifiers
- CAS
4982-34-7- PubChem CID
- 245334
- DTXSID
DTXSID40288663- Nikkaji
- J793.267G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 158 · 158-158.5 °C
- Boiling point
- 350.5 · 350.5±37.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
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Compound notes
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