chempirical

Coronene

C24H12CAS 191-07-1300.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C24H12
Molar mass
300.36 g/mol
Exact mass
300.0939 Da
Density
1.38 g/mL
Melting point
437.3 °C
Boiling point
525 °C
logP
6.92Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
191-07-1
SMILES
c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61
InChIKey
VPUGDVKSAQVFFS-UHFFFAOYSA-N
InChI
InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H

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Names and synonyms

2 names
  • NSC 90725
  • Circumbenzene

Work with Coronene

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

Pyrene129-00-058 % similar Benzo(ghi)perylene191-24-253 % similar Benzo(E)pyrene192-97-241 % similar Perylene198-55-040 % similar 4H-Cyclopenta[def]phenanthrene203-64-539 % similar 1,8-Dibromopyrene38303-35-439 % similar 2,7-Dibromopyrene102587-98-435 % similar Tribenzo[de,kl,rst]pentaphene188-72-735 % similar

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

Elsewhere

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