Pyrene-4,5,9,10-tetrone

C₁₆H₆O₄CAS 14727-71-0262.22 g/mol

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Properties

Molecular formula: C₁₆H₆O₄
Molar mass: 262.22 g/mol
Exact mass: 262.0266 Da
logP: 0.85Crippen estimate
Polar surface area: 68.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

14727-71-0

SMILES

C1=CC2=C3C(=C1)C(=O)C(=O)C4=CC=CC(=C43)C(=O)C2=O

InChIKey

FQVOWPCGHLYSLB-UHFFFAOYSA-N

InChI

InChI=1S/C16H6O4/c17-13-7-3-1-4-8-11(7)12-9(15(13)19)5-2-6-10(12)16(20)14(8)18/h1-6H

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Names and synonyms

1 names

4,5,9,10-Pyrenetetrone

Work with Pyrene-4,5,9,10-tetrone

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

Dibenzo[a,d]cyclohepten-5-one2222-33-545 % similar Thioxanthone492-22-842 % similar Acridone578-95-042 % similar Xanthone90-47-142 % similar Diphenylcyclopropenone886-38-441 % similar 1,5-Dibromonaphthalene7351-74-840 % similar N-Methylacridone719-54-037 % similar 9,9′-Bianthryl1055-23-836 % similar

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

Elsewhere

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