chempirical

Tetraphenylcyclopentadienone

C29H20OCAS 479-33-4384.48 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C29H20O
Molar mass
384.48 g/mol
Exact mass
384.1514 Da
Melting point
217–218 °C
logP
6.79Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
479-33-4
SMILES
O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIKey
PLGPSDNOLCVGSS-UHFFFAOYSA-N
InChI
InChI=1S/C29H20O/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24/h1-20H

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Names and synonyms

13 names · show all
  • 2,4-Cyclopentadien-1-one, 2,3,4,5-tetraphenyl-
  • Cyclopentadienone, tetraphenyl-
  • 2,3,4,5-Tetraphenyl-2,4-cyclopentadien-1-one
  • Tetracyclone
  • Cyclone (compound)
  • Tetraphenyl-2,4-cyclopentadien-1-one
  • 2,3,4,5-Tetraphenylcyclopentadienone
  • Cyclone
  • Tetracyclon
  • 2,3,4,5-Tetraphenylcyclopenta-2,4-dienone
  • NSC 2060
  • NSC 220314
  • NSC 243761

Reactions

Work with Tetraphenylcyclopentadienone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzophenone119-61-950 % similar Benzil134-81-650 % similar 2,3-Diphenyl-1H-inden-1-one1801-42-950 % similar 1,4-Dibenzoylbenzene3016-97-548 % similar 1,4-Bis(phenylglyoxaloyl)benzene3363-97-148 % similar Benzoyl bromide618-32-646 % similar 1,2-Dibenzoylbenzene1159-86-044 % similar Dibenzoylmethane120-46-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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