Dibenzo[a,h]pyrene

C₂₄H₁₄CAS 189-64-0302.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₁₄
Molar mass: 302.38 g/mol
Exact mass: 302.1096 Da
Melting point: 317 °C
logP: 6.89Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H341 Suspected of causing genetic defectsGerm cell mutagenicity
H350 May cause cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI, index 601-091-00-5), via PubChem.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

189-64-0

SMILES

c1ccc2c(c1)cc1ccc3c4ccccc4cc4ccc2c1c43

InChIKey

RXUSYFJGDZFVND-UHFFFAOYSA-N

InChI

InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H

Weigh it out

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

Names and synonyms

3 names

Dibenzo[b,def]chrysene
3,4:8,9-Dibenzopyrene
Dibenzo(a,h)pyrene

Work with Dibenzo[a,h]pyrene

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

Benzo[a]pyrene50-32-886 % similar Benz[a]anthracene56-55-361 % similar Benzo[e]pyrene192-97-259 % similar Dibenz[a,h]anthracene53-70-359 % similar Chrysene218-01-957 % similar Phenanthrene85-01-855 % similar 9,9′-Bianthryl1055-23-855 % similar Benzo[ghi]perylene191-24-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook