3,4-Bis(4-fluorophenyl)-2,5-diphenyl-2,4-cyclopentadien-1-one
Basic information
- CAS
56805-29-9- Standard SMILES
O=C1C(c2ccccc2)=C(c2ccc(F)cc2)C(c2ccc(F)cc2)=C1c1ccccc1- InChIKey
VPXZKZUMSZRXCW-UHFFFAOYSA-N- Molecular formula
- C29H18F2O
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.13257152
Names & identifiers
- Preferred name
- 3,4-Bis(4-fluorophenyl)-2,5-diphenyl-2,4-cyclopentadien-1-one
- IUPAC
- 3,4-bis(4-fluorophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
- English name
- 3,4-Bis(4-fluorophenyl)-2,5-diphenyl-2,4-cyclopentadien-1-one
- Molecular formula
- C29H18F2O
- Molecular weight
- 420.45
Names & synonyms
3,4-Bis(4-fluorophenyl)-2,5-diphenyl-2,4-cyclopentadien-1-one56805-29-9RefChem:2706823,4-bis(4-fluorophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-oneSCHEMBL14338520VPXZKZUMSZRXCW-UHFFFAOYSA-NDTXSID3011828782,4-Cyclopentadien-1-one, 3,4-bis(4-fluorophenyl)-2,5-diphenyl-3,4-bis (p-fluorophenyl)diphenylcyclopentadienone3,4-Bis(4-fluorophenyl)-2,5-diphenyl-2,4-cyclopentadien-1-one #
Database identifiers
- CAS
56805-29-9- PubChem CID
- 634528
- DTXSID
DTXSID301182878- Nikkaji
- J142.081J
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 675
Physicochemical properties
- Melting point
- 235.8 · 235.8-235.9 °C
- Boiling point
- 621.8 · 621.8±55.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
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Compound notes
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