chempirical

Pentacene

C22H14CAS 135-48-8278.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C22H14
Molar mass
278.35 g/mol
Exact mass
278.1096 Da
Melting point
257 °C
Boiling point
40–43 °C (at 0.15 Torr)
logP
6.30Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
135-48-8
SMILES
c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
InChIKey
SLIUAWYAILUBJU-UHFFFAOYSA-N
InChI
InChI=1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H

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Names and synonyms

6 names
  • Benzo[b]naphthacene
  • Lin-Dibenzanthracene
  • Lin-Naphthoanthracene
  • 2,3:6,7-Dibenzanthracene
  • Dibenz[b,i]anthracene
  • NSC 90784

Work with Pentacene

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

Tetracene92-24-0100 % similar Anthracene120-12-791 % similar Naphthalene91-20-358 % similar 2-Chloroanthracene17135-78-358 % similar 2-Aminoanthracene613-13-858 % similar 9,9′-Bianthryl1055-23-853 % similar 2,3-Dibromonaphthalene13214-70-553 % similar 2,3-Dimethylnaphthalene581-40-853 % similar

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

Same formula

1,4-Bis(2-phenylethynyl)benzene1849-27-0 Benzo[B]triphenylene215-58-7 Dibenz(A,H)anthracene53-70-3

Elsewhere

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