3,3'-(1,4-Phenylene)bis(2,4,5-triphenylcyclopentadienone)
Basic information
- CAS
3432-73-3- Standard SMILES
O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccc(C3=C(c4ccccc4)C(=O)C(c4ccccc4)=C3c3ccccc3)cc2)=C1c1ccccc1- InChIKey
CDSWVVKOGGSZOB-UHFFFAOYSA-N- Molecular formula
- C52H34O2
- Average molar mass
- 690.8 g/mol
- Monoisotopic mass
- 690.25588032
Names & identifiers
- Preferred name
- 3,3'-(1,4-Phenylene)bis(2,4,5-triphenylcyclopentadienone)
- IUPAC
- 3-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one
- English name
- 2,4-Cyclopentadien-1-one, 3,3'-(1,4-phenylene)bis[2,4,5-triphenyl-
- Molecular formula
- C52H34O2
- Molecular weight
- 690.83
Names & synonyms
3432-73-33,3'-(1,4-Phenylene)bis(2,4,5-triphenylcyclopentadienone)DTXSID00385349RefChem:269833DTXCID603363723,3'-(1,4-Phenylene)bis(2,4,5-triphenylcyclopenta-2,4-dien-1-one)4,4'-(1,4-PHENYLENE)BIS(2,3,5-TRIPHENYLCYCLOPENTA-2,4-DIENONE)SCHEMBL4250744CDSWVVKOGGSZOB-UHFFFAOYSA-N4,4'-(1,4-Phenylene)bis(2,3,5-triphenylcyclopenta-2,4-dien-1-one)STK5336062,4-Cyclopentadien-1-one, 3,3'-(1,4-phenylene)bis[2,4,5-triphenyl-
Show more names
BTCB1,4-bis(2,4,5-triphenylcyclopentadienone)benzene1,4-bis(2,4,5-triphenylcyclopentadienone-3-yl)benzene
AKOS005465351ST0101031,4-bis(1-oxo-2,4,5-triphenylcyclopentadien-3-yl)benzene3,3'-benzene-1,4-diylbis(2,4,5-triphenylcyclopenta-2,4-dien-1-one)4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dienyl)phenyl]-2,3,5-triphenylcyclop enta-2,4-dien-1-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,370
Physicochemical properties
- Melting point
- 302 · 302-304 °C
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
Related reactions
2 records
Compound notes
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