chempirical

Dibenz(A,H)anthracene

C22H14CAS 53-70-3278.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C22H14
Molar mass
278.35 g/mol
Exact mass
278.1096 Da
Density
1.28 g/mL
Melting point
266 °C
Boiling point
524 °C
logP
6.30Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
53-70-3
SMILES
c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12
InChIKey
LHRCREOYAASXPZ-UHFFFAOYSA-N
InChI
InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H

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Names and synonyms

9 names
  • Dibenz[a,h]anthracene
  • DBA
  • 1,2:5,6-Dibenzanthracene
  • Dibenzo[a,h]anthracene
  • 1,2:5,6-Dibenz[a]anthracene
  • 1,2:5,6-Benzanthracene
  • 1,2:5,6-Dibenzoanthracene
  • 1,2:5,6-Dibenzanthracen
  • NSC 22433

Work with Dibenz(A,H)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benz(A)anthracene56-55-389 % similar Phenanthrene85-01-875 % similar Chrysene218-01-967 % similar Dibenzo[A,H]pyrene189-64-059 % similar 9,9′-Bianthryl1055-23-855 % similar Benzo(A)pyrene50-32-852 % similar Dibenzo[A,D]cyclohepten-5-one2222-33-550 % similar 6-Aminochrysene2642-98-050 % similar

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

Same formula

Pentacene135-48-8 1,4-Bis(2-phenylethynyl)benzene1849-27-0 Benzo[B]triphenylene215-58-7

Elsewhere

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