9,10-Bis(phenylethynyl)anthracene

C30H18CAS 10075-85-1378.47 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C30H18
Molar mass
378.47 g/mol
Exact mass
378.1409 Da
Melting point
257–258 °C
logP
6.79Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 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
10075-85-1
SMILES
C(#Cc1c2ccccc2c(C#Cc2ccccc2)c2ccccc12)c1ccccc1
InChIKey
ZHBOFZNNPZNWGB-UHFFFAOYSA-N
InChI
InChI=1S/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18H

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Names and synonyms

8 names
  • Anthracene, 9,10-bis(2-phenylethynyl)-
  • Anthracene, 9,10-bis(phenylethynyl)-
  • 9,10-Bis(2-phenylethynyl)anthracene
  • BPEA (scintillator additive)
  • BPEA
  • 9,10-Bis(phenylvinyl)anthracene
  • Cyalume green
  • 9,10-Bis(phenethynyl)anthracene

Work with 9,10-Bis(phenylethynyl)anthracene

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

Diphenylacetylene501-65-567 % similar 1-Chloro-9,10-bis(phenylethynyl)anthracene41105-35-564 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-063 % similar Diphenylbutadiyne886-66-852 % similar Methylphenylacetylene673-32-546 % similar Bromophenylacetylene932-87-646 % similar 9,10-Dicyanoanthracene1217-45-443 % similar 3-Phenyl-2-propyn-1-ol1504-58-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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