2,3-Diphenylbuta-1,3-diene

C16H14CAS 2548-47-2206.29 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C16H14
Molar mass
206.29 g/mol
Exact mass
206.1096 Da
logP
4.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
2548-47-2
SMILES
C=C(C1=CC=CC=C1)C(=C)C2=CC=CC=C2
InChIKey
LGLDSEPDYUTBNZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H14/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-12H,1-2H2

Weigh it out

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

Names and synonyms

6 names
  • 3-Phenylbuta-1,3-dien-2-ylbenzene
  • 2,3-Diphenyl-1,3-butadiene
  • Buta-1,3-diene-2,3-diyldibenzene
  • 1,1'-[1,2-Bis(methylene)-1,2-ethanediyl]bis-Benzene
  • (1-Methylene-2-phenyl-prop-2-enyl)-benzene
  • 1,1'-(Buta-1,3-diene-2,3-diyl)dibenzene

Reactions

Work with 2,3-Diphenylbuta-1,3-diene

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

α-Phenylacrylic acid492-38-658 % similar 1,1-Diphenylethylene530-48-358 % similar Tetraphenylethylene632-51-950 % similar Alpha-methylstyrene98-83-950 % similar Atropaldehyde4432-63-744 % similar Benzophenone imine1013-88-343 % similar Benzophenone119-61-943 % similar Benzil134-81-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-7-phenylindene153733-75-6 3,6-Dimethylphenanthrene1576-67-6 4,4′-Diethenyl-1,1′-biphenyl4433-13-0 Trans,trans-1,4-diphenyl-1,3-butadiene538-81-8 9,10-Dimethylanthracene781-43-1 1,4-Diphenyl-1,3-butadiene886-65-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook