chempirical

1,4-Bis(2-phenylethynyl)benzene

C22H14CAS 1849-27-0278.35 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C22H14
Molar mass
278.35 g/mol
Exact mass
278.1096 Da
Melting point
184–186 °C
logP
4.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1849-27-0
SMILES
C(#Cc1ccc(C#Cc2ccccc2)cc1)c1ccccc1
InChIKey
FPVSTPLZJLYNMB-UHFFFAOYSA-N
InChI
InChI=1S/C22H14/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-10,15-18H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1,4-bis(2-phenylethynyl)-
  • Benzene, p-bis(phenylethynyl)-
  • Benzene, 1,4-bis(phenylethynyl)-
  • p-Bis(phenylethynyl)benzene
  • 1,4-Bis(phenylethynyl)benzene
  • 1,4-Di(phenylethynyl)benzene

Work with 1,4-Bis(2-phenylethynyl)benzene

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

Diphenylbutadiyne886-66-869 % similar 9,10-Bis(phenylethynyl)anthracene10075-85-163 % similar Methylphenylacetylene673-32-558 % similar 1-[4-(2-Phenylethynyl)phenyl]ethanone1942-31-052 % similar Benzonitrile100-47-050 % similar 3-Phenyl-2-propyn-1-ol1504-58-150 % similar 1-Phenyl-1-butyne622-76-450 % similar Phenylacetylene536-74-347 % similar

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

Same formula

Pentacene135-48-8 Benzo[B]triphenylene215-58-7 Dibenz(A,H)anthracene53-70-3

Elsewhere

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