chempirical

Isoviolanthrone

C34H16O2CAS 128-64-3456.50 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C34H16O2
Molar mass
456.50 g/mol
Exact mass
456.1150 Da
logP
8.16Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
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
128-64-3
SMILES
O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)-c1ccccc1C5=O
InChIKey
BSIHWSXXPBAGTC-UHFFFAOYSA-N
InChI
InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H

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Names and synonyms

17 names · show all
  • Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione
  • C.I. 60000
  • Benzadone violet B
  • Carbanthrene printing violet 2R
  • C.I. Vat violet 10
  • Isodibenzanthrone
  • Isothrene
  • Paradone brilliant violet 2R
  • Paradone violet B new
  • Romantrene brilliant violet F 4R
  • Romantrene brilliant violet F 2R
  • Romantrene brilliant violet 4R
  • Romantrene violet 2R
  • Isoviolanthrone A
  • Dinaphtho[1,2,3-cd:1′,2′,3′-lm]perylene-9,18-dione
  • Izodibenzantron
  • NSC 5268

Work with Isoviolanthrone

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

Fluorenone486-25-965 % similar Benzanthrone82-05-365 % similar 16,17-Dihydroxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione128-59-664 % similar Pyranthrone128-70-164 % similar Vat green 1128-58-559 % similar Dibromodibenzo[b,def]chrysene-7,14-dione1324-11-459 % similar 3-Bromobenzanthrone81-96-958 % similar 3-Bromo-9H-fluoren-9-one2041-19-251 % similar

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

Same formula

Violanthrone116-71-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook