chempirical

Triphenylene

C18H12CAS 217-59-4228.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C18H12
Molar mass
228.29 g/mol
Exact mass
228.0939 Da
Density
0.9425 g/mL (at 20 °C)
Melting point
199 °C
Boiling point
425 °C
logP
5.15Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
217-59-4
SMILES
c1ccc2c(c1)c1ccccc1c1ccccc21
InChIKey
SLGBZMMZGDRARJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H

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Names and synonyms

6 names
  • 9,10-Benzphenanthrene
  • 9,10-Benzophenanthrene
  • 1,2,3,4-Dibenznaphthalene
  • Isochrysene
  • Benzo[l]phenanthrene
  • NSC 57455

Reactions

Work with Triphenylene

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

Benzo[B]triphenylene215-58-757 % similar Phenanthrene85-01-854 % similar Benzo(E)pyrene192-97-250 % similar 9,10-Dichloroanthracene605-48-150 % similar 9,10-Dimethylanthracene781-43-150 % similar 6,12-Dibromochrysene131222-99-647 % similar Diphenic anhydride6050-13-147 % similar Dibenzofuran132-64-947 % similar

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

Same formula

Chrysene218-01-9 Benz(A)anthracene56-55-3 Tetracene92-24-0

Elsewhere

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