chempirical

Benz(A)anthracene

C18H12CAS 56-55-3228.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C18H12
Molar mass
228.29 g/mol
Exact mass
228.0939 Da
Density
1.27 g/mL
Melting point
160 °C
Boiling point
437.6 °C
logP
5.15Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
56-55-3
SMILES
c1ccc2cc3c(ccc4ccccc43)cc2c1
InChIKey
DXBHBZVCASKNBY-UHFFFAOYSA-N
InChI
InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H

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Names and synonyms

15 names · show all
  • Benz[a]anthracene
  • Benzanthrene
  • Benzo[a]anthracene
  • Benzo[b]phenanthrene
  • 2,3-Benzophenanthrene
  • Tetraphene
  • 1,2-Benzanthracene
  • 1,2-Benz[a]anthracene
  • Benzanthracene
  • 1,2-Benzanthrene
  • 1,2-Benzoanthracene
  • Benzoanthracene
  • NSC 30970
  • Benz(a)anthracenes
  • Anthracenes, benz(a)anthracenes

Work with Benz(A)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

Dibenz(A,H)anthracene53-70-389 % similar Phenanthrene85-01-867 % similar Dibenzo[A,H]pyrene189-64-061 % similar Benzo[B]triphenylene215-58-760 % similar 9,9′-Bianthryl1055-23-857 % similar Anthracene120-12-756 % similar Benzo(A)pyrene50-32-854 % similar Pentacene135-48-853 % similar

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

Same formula

Triphenylene217-59-4 Chrysene218-01-9 Tetracene92-24-0

Elsewhere

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