chempirical

1,9-Diphenylnona-1,3,6,8-tetraen-5-one

C21H18OCAS 622-21-9286.37 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C21H18O
Molar mass
286.37 g/mol
Exact mass
286.1358 Da
Density
1.1 g/mL
Melting point
146 °C
logP
5.09Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
622-21-9
SMILES
O=C(C=CC=Cc1ccccc1)C=CC=Cc1ccccc1
InChIKey
RLJALOQFYHCJKG-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H

Weigh it out

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

Names and synonyms

6 names
  • Dicinnamalacetone
  • 1,3,6,8-Nonatetraen-5-one, 1,9-diphenyl-
  • 1,9-Diphenyl-1,3,6,8-nonatetraen-5-one
  • 5-Oxo-1,9-diphenyl-1,3,6,8-nonatetraene
  • Dicinnamylideneacetone
  • NSC 6245

Work with 1,9-Diphenylnona-1,3,6,8-tetraen-5-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

Similar compounds

(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one35225-79-772 % similar Dibenzylideneacetone538-58-972 % similar 1,5-Diphenyl-2,4-pentadien-1-one614-57-366 % similar Bis(dibenzylideneacetone)palladium32005-36-064 % similar Tris(dibenzylideneacetone)dipalladium(0)51364-51-364 % similar Tris(dibenzylideneacetone)dipalladium52409-22-064 % similar Tris(dibenzylideneacetone)dipalladium60748-47-264 % similar 5-Phenyl-2,4-pentadienoic acid1552-94-963 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook