chempirical

Pigment yellow 147

C37H21N5O4CAS 4118-16-5599.61 g/mol

Open in Covalent MOL file
OONNHNNOONH
Ketone

Properties

Molecular formula
C37H21N5O4
Molar mass
599.61 g/mol
Exact mass
599.1594 Da
logP
5.42Crippen estimate
Polar surface area
137.5 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
3

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
4118-16-5
SMILES
O=C1c2ccccc2C(=O)c2c(N=c3nc(-c4ccccc4)[nH]c(=Nc4cccc5c4C(=O)c4ccccc4C5=O)[nH]3)cccc21
InChIKey
MVIFQPPFCHUSIH-UHFFFAOYSA-N
InChI
InChI=1S/C37H21N5O4/c43-31-21-12-4-6-14-23(21)33(45)29-25(31)16-8-18-27(29)38-36-40-35(20-10-2-1-3-11-20)41-37(42-36)39-28-19-9-17-26-30(28)34(46)24-15-7-5-13-22(24)32(26)44/h1-19H,(H2,38,39,40,41,42)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 9,10-Anthracenedione, 1,1′-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis-
  • Anthraquinone, 1,1′-[(6-phenyl-s-triazine-2,4-diyl)diimino]di-
  • 1,1′-[(6-Phenyl-1,3,5-triazine-2,4-diyl)diimino]bis[9,10-anthracenedione]
  • C.I. Pigment yellow 147
  • Cromophtal yellow AGR
  • Filester yellow 2648A
  • Filester yellow RN
  • Kayaset yellow E-AR
  • C.I. 60645
  • Filester yellow RNB
  • PY 147

Work with Pigment yellow 147

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

Dianthrimide82-22-440 % similar 1-Chloroanthraquinone82-44-038 % similar 1-Hydroxyanthraquinone129-43-137 % similar 1-Aminoanthraquinone82-45-137 % similar N-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)benzamide117-06-636 % similar Disperse red 982-38-235 % similar 4',4'''-Azobis(N-(9,10-dihydro-9,10-dioxo-1-anthryl)(1,1'-biphenyl)-4-carboxamide)12227-50-834 % similar 2,8-Diphenylanthra[2,1-d:6,5-d′]bisthiazole-6,12-dione129-09-934 % similar

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

Elsewhere

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