chempirical

Pigment yellow 174

C35H32Cl2N6O4CAS 78952-72-4671.58 g/mol

Open in Covalent MOL file
ONNNNOOHNClClONH
Aryl halideAzoKetone

Properties

Molecular formula
C35H32Cl2N6O4
Molar mass
671.58 g/mol
Exact mass
670.1862 Da
logP
10.24Crippen estimate
Polar surface area
148.8 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
11

Identifiers

CAS number
78952-72-4
SMILES
CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(O)=Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(O)=Nc1ccccc1C
InChIKey
XAQOUXKUARYQQO-UHFFFAOYSA-N
InChI
InChI=1S/C35H32Cl2N6O4/c1-19-10-13-29(21(3)16-19)39-35(47)33(23(5)45)43-41-31-15-12-25(18-27(31)37)24-11-14-30(26(36)17-24)40-42-32(22(4)44)34(46)38-28-9-7-6-8-20(28)2/h6-18,32-33H,1-5H3,(H,38,46)(H,39,47)

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Names and synonyms

13 names · show all
  • Butanamide, 2-[2-[3,3′-dichloro-4′-[2-[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-N-(2-methylphenyl)-3-oxo-
  • Butanamide, 2-[[3,3′-dichloro-4′-[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1′-biphenyl]-4-yl]azo]-N-(2-methylphenyl)-3-oxo-
  • 2-[2-[3,3′-Dichloro-4′-[2-[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-N-(2-methylphenyl)-3-oxobutanamide
  • C.I. Pigment yellow 174
  • C.I. 21098
  • Irgalite yellow LBS
  • Irgalite yellow LBT
  • Permanent yellow GRY
  • Permanent yellow GRY 80
  • Print yellow 1363
  • Sincol yellow 1128G21
  • Permanent yellow GRS 80
  • 2-[[3,3′-Dichloro-4′-[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1′-biphenyl]-4-yl]azo]-3-oxo-N-(o-tolyl)butyramide

Work with Pigment yellow 174

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

Pigment yellow 135102-83-091 % similar Pigment yellow 145468-75-789 % similar Pigment yellow 126358-85-668 % similar Pigment yellow 174531-49-167 % similar Pigment yellow 835567-15-759 % similar Light yellow2512-29-049 % similar Pigment orange 3415793-73-449 % similar Pigment orange 133520-72-746 % similar

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

Elsewhere

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