(1~1~,2~1~:2~2~,3~1~-Terphenyl)-2~3~,2~6~-dione
Basic information
- CAS
29063-50-1- Standard SMILES
O=C1C=CC(=O)C(c2ccccc2)=C1c1ccccc1- InChIKey
MVWPVABZQQJTPL-UHFFFAOYSA-N- Molecular formula
- C18H12O2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.08372962
Names & identifiers
- Preferred name
- (1~1~,2~1~:2~2~,3~1~-Terphenyl)-2~3~,2~6~-dione
- IUPAC
- 2,3-diphenylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
29063-50-1DTXSID00951669(1~1~,2~1~:2~2~,3~1~-Terphenyl)-2~3~,2~6~-dione[1~1~,2~1~:2~2~,3~1~-Terphenyl]-2~3~,2~6~-dioneRefChem:1049550DTXCID701379780diphenylquinone2,5-Cyclohexadiene-1,4-dione, diphenyl-SCHEMBL577642,3-Diphenyl-[1,4]benzoquinone
Database identifiers
- CAS
29063-50-1- PubChem CID
- 186127
- DTXSID
DTXSID00951669- Nikkaji
- J595.645E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
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Compound notes
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