(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one

C17H14OCAS 35225-79-7234.30 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C17H14O
Molar mass
234.30 g/mol
Exact mass
234.1045 Da
Melting point
190–191 °C
logP
3.98Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4
Double bonds
E, EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
35225-79-7
SMILES
O=C(/C=C/c1ccccc1)/C=C/c1ccccc1
InChIKey
WMKGGPCROCCUDY-PHEQNACWSA-N
InChI
InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 1,4-Pentadien-3-one, 1,5-diphenyl-, (1E,4E)-
  • 1,4-Pentadien-3-one, 1,5-diphenyl-, (E,E)-
  • Trans,trans-1,5-Diphenylpenta-1,4-dien-3-one
  • Trans,trans-Dibenzylideneacetone
  • (E,E)-1,5-Diphenylpenta-1,4-dien-3-one
  • Trans,trans-Dibenzalacetone
  • (E,E)-Dibenzylideneacetone
  • Bis((E)-2-phenylethenyl) ketone
  • (E,E)-1,5-Diphenyl-1,4-pentadien-3-one

Work with (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dibenzylideneacetone538-58-9Stereo not defined

Similar compounds

Bis(dibenzylideneacetone)palladium32005-36-087 % similar Tris(dibenzylideneacetone)dipalladium(0)51364-51-387 % similar Tris(dibenzylideneacetone)dipalladium52409-22-087 % similar Tris(dibenzylideneacetone)dipalladium60748-47-287 % similar 1,9-Diphenylnona-1,3,6,8-tetraen-5-one622-21-972 % similar Tris(dibenzylideneacetone)dipalladium chloroform adduct52522-40-469 % similar trans-Chalcone614-47-162 % similar Chalcone94-41-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl 2-naphthyl ether613-62-7 1,5-Diphenyl-2,4-pentadien-1-one614-57-3

Elsewhere

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