Trans,trans-1,4-diphenyl-1,3-butadiene

C₁₆H₁₄CAS 538-81-8206.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₄
Molar mass: 206.29 g/mol
Exact mass: 206.1096 Da
logP: 4.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3
Double bonds: E, EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

538-81-8

SMILES

C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2

InChIKey

JFLKFZNIIQFQBS-FNCQTZNRSA-N

InChI

InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+

Weigh it out

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

Work with Trans,trans-1,4-diphenyl-1,3-butadiene

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.

1,4-Diphenyl-1,3-butadiene886-65-7Stereo not defined

Similar compounds

1,6-Diphenyl-1,3,5-hexatriene1720-32-7100 % similar (E)-Stilbene103-30-073 % similar (Z)-Stilbene645-49-873 % similar Cinnamaldehyde104-55-265 % similar Cinnamaldehyde14371-10-965 % similar (E)-1-Phenyl-1,3-butadiene16939-57-465 % similar Dicinnamalacetone622-21-961 % similar β-Methylstyrene637-50-358 % 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 2,3-Diphenylbuta-1,3-diene2548-47-2 4,4′-Diethenyl-1,1′-biphenyl4433-13-0 9,10-Dimethylanthracene781-43-1

Elsewhere

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