chempirical

Diphenylacetylene

C14H10CAS 501-65-5178.23 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C14H10
Molar mass
178.23 g/mol
Exact mass
178.0783 Da
Melting point
62.5 °C
Boiling point
300 °C
logP
3.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
501-65-5
SMILES
C(#Cc1ccccc1)c1ccccc1
InChIKey
JRXXLCKWQFKACW-UHFFFAOYSA-N
InChI
InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 1,1′-(1,2-ethynediyl)bis-
  • Acetylene, diphenyl-
  • 1,1′-(1,2-Ethynediyl)bis[benzene]
  • Diphenylethyne
  • Tolan
  • Tolane
  • Ethyne, diphenyl-
  • 1,2-Diphenylacetylene
  • 1,2-Diphenylethyne
  • NSC 5185
  • (2-Phenylethynyl)benzene
  • 2-Phenylethynylbenzene

Reactions

Work with Diphenylacetylene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Bis(2-phenylethynyl)benzene1849-27-092 % similar Diphenylbutadiyne886-66-873 % similar 9,10-Bis(phenylethynyl)anthracene10075-85-167 % similar Methylphenylacetylene673-32-561 % similar Bromophenylacetylene932-87-661 % similar Benzonitrile100-47-053 % similar 3-Phenyl-2-propyn-1-ol1504-58-152 % similar 1-Phenyl-2-(trimethylsilyl)acetylene2170-06-152 % similar

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

Same formula

Anthracene120-12-7 (2H10)Anthracene1719-06-8 4-Ethynyl-1,1′-biphenyl29079-00-3 9-Methylene-fluorene4425-82-5 Phenanthrene85-01-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia