chempirical

5,7-Dibromo-2-(5,7-dibromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one

C16H6Br4N2O2CAS 2475-31-2577.85 g/mol

Open in Covalent MOL file
ONHBrBrOHNBrBr
AlkeneAryl halideKetoneSecondary amine

Properties

Molecular formula
C16H6Br4N2O2
Molar mass
577.85 g/mol
Exact mass
573.7163 Da
logP
5.86Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
2475-31-2
SMILES
O=C1C(=C2Nc3c(Br)cc(Br)cc3C2=O)Nc2c(Br)cc(Br)cc21
InChIKey
PTWYQANXSNMUTI-UHFFFAOYSA-N
InChI
InChI=1S/C16H6Br4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H

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Names and synonyms

45 names · show all
  • Sulfanthrene blue 2B
  • 3H-Indol-3-one, 5,7-dibromo-2-(5,7-dibromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
  • [δ2,2′-Biindoline]-3,3′-dione, 5,5′,7,7′-tetrabromo-
  • Indigotin, 5,5′,7,7′-tetrabromo-
  • C.I. 73065
  • Ahcovat printing blue 2BD
  • Amanthrene navy blue 2B-MF
  • Amanthrene navy blue new
  • Arlanone blue 2B
  • BASF brilliant indigo 4B
  • Brilliant indigo 4B
  • BASF brilliant indigo 4BC
  • Brilliant indigo 4BJD
  • Brilliant indigo 4BR
  • Brilliant indigo 4BV
  • Bromindigo 2BD
  • Ciba blue 2B
  • Ciba blue 2BD
  • Ciba blue 2BDG
  • Ciba blue 2BN
  • Ciba blue 2BPF
  • Ciba brilliant blue BS
  • C.I. Vat blue 5
  • Durindone blue 4B
  • Durindone blue 4BC
  • Durindone blue 4BCP
  • Durindone printing blue 4BC
  • Hostavat blue 2BD
  • Hostavat blue 4BR
  • Indigo 4B
  • Mitsui tsuya indigo 2B
  • Solindene blue 2BD
  • Tetra blue 2B
  • Thiovat brilliant indigo 4BR
  • Tina blue 2B
  • Vat blue 4B
  • 5,5′,7,7′-Tetrabromoindigo
  • Tetrabromoindigo
  • Vat blue 5
  • Bromindigo
  • Tsuya indigo 2B
  • BASF brilliant indigo 4B-D
  • Brilliant indigo 4B-D
  • NSC 400980
  • Bromoindigo

Work with 5,7-Dibromo-2-(5,7-dibromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one

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

7-Bromoisatin20780-74-941 % similar 3,5-Dibromosalicylic acid3147-55-540 % similar 3,4′,5-Tribromosalicylanilide87-10-540 % similar 5-Bromoisatin87-48-940 % similar 2-Amino-3,5-dibromobenzoic acid609-85-839 % similar Methyl 3,5-dibromosalicylate21702-79-437 % similar 3,5-Dibromo-2-methoxybenzoic acid13130-23-936 % similar Methyl 2-amino-3,5-dibromobenzoate606-00-836 % similar

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

Elsewhere

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