7,9-Diphenyl-8H-cyclopenta[a]acenaphthylen-8-one

HCID 267145

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Basic information

CAS: 641-57-6
Standard SMILES: O=C1C(c2ccccc2)=C2C(=C1c1ccccc1)c1cccc3cccc2c13
InChIKey: QQGHPFDLUNMBGJ-UHFFFAOYSA-N
Molecular formula: C27H16O
Average molar mass: 356.4 g/mol
Monoisotopic mass: 356.12011513

Names & identifiers

Preferred name: 7,9-Diphenyl-8H-cyclopenta[a]acenaphthylen-8-one
IUPAC: 7,9-diphenylcyclopenta[a]acenaphthylen-8-one
English name: 7,9-Diphenyl-8H-cyclopent[a]acenaphthylen-8-one
Molecular formula: C27H16O
Molecular weight: 356.42

Names & synonyms

7,9-Diphenyl-8H-cyclopenta[a]acenaphthylen-8-one641-57-6DTXSID402959138H-Cyclopent[a]acenaphthylen-8-one, 7,9-diphenyl-7,9-Diphenyl-8H-cyclopenta(a)acenaphthylen-8-one8H-Cyclopent(a)acenaphthylen-8-one, 7,9-diphenyl-RefChem:310024DTXCID20247051QQGHPFDLUNMBGJ-UHFFFAOYSA-N7,9-diphenylcyclopenta[a]acenaphthylen-8-oneAcecyclone7,9-diphenyl-8H-Cyclopent[a]acenaphthylen-8-one

Show more names

7,9-Diphenyl-8H-cyclopenta[a]anthracen-8-one

MFCD00854215NSC627663AcecyclonC27H16ONSC106262SCHEMBL75606SCHEMBL29773784NSC-106262

Database identifiers

CAS: 641-57-6
PubChem CID: 267145
DTXSID: DTXSID40295913
Nikkaji: J402.981J

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 28
Formal charge: 0
Complexity: 655

Physicochemical properties

Melting point: 289 °C · 289 °C
Boiling point: 660.9 · 660.9±55.0 °C(Predicted)
Density: 1.32 · 1.32±0.1 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313