chempirical

Chrysene

C18H12CAS 218-01-9228.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C18H12
Molar mass
228.29 g/mol
Exact mass
228.0939 Da
Density
1.274 g/mL (at 20 °C)
Melting point
258.2 °C
Boiling point
448 °C
logP
5.15Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
218-01-9
SMILES
c1ccc2c(c1)ccc1c3ccccc3ccc21
InChIKey
WDECIBYCCFPHNR-UHFFFAOYSA-N
InChI
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H

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

Names and synonyms

5 names
  • 1,2-Benzphenanthrene
  • Benzo[a]phenanthrene
  • 1,2-Benzophenanthrene
  • NSC 6175
  • [4]Phenacene

Work with Chrysene

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

Phenanthrene85-01-886 % similar Dibenz(A,H)anthracene53-70-367 % similar 6-Aminochrysene2642-98-061 % similar Benzo(E)pyrene192-97-258 % similar Dibenzo[A,H]pyrene189-64-057 % similar Benzo[B]triphenylene215-58-756 % similar Dibenzo[A,D]cyclohepten-5-one2222-33-555 % similar 1,1'-Binaphthyl604-53-553 % similar

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

Same formula

Triphenylene217-59-4 Benz(A)anthracene56-55-3 Tetracene92-24-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia