1,4-Bis(2-phenylethynyl)benzene

C₂₂H₁₄CAS 1849-27-0278.35 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Diphenylacetylene501-65-592 % similar Diphenylbutadiyne886-66-869 % similar 9,10-Bis(phenylethynyl)anthracene10075-85-163 % similar Methylphenylacetylene673-32-558 % similar Bromophenylacetylene932-87-658 % similar 1-[4-(2-Phenylethynyl)phenyl]ethanone1942-31-052 % similar Benzonitrile100-47-050 % similar 3-Phenyl-2-propyn-1-ol1504-58-150 % 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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