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
Water solubility
0.63 µg/L (25 °C)
logP
6.30Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Health Hazard (GHS08)Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI, index 601-041-00-2), via PubChem.

Precautionary statements

P203, P273, P280, P318, P391, P405, P501

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

Weigh it out

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

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 3-Bromophenanthrene715-50-461 % similar Dibenzo[a,h]pyrene189-64-059 % similar 2-Bromophenanthrene62162-97-458 % similar 9,9′-Bianthryl1055-23-855 % similar Benzo[a]pyrene50-32-852 % 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia