chempirical

Pigment red 31

C31H23N5O6CAS 6448-96-0561.55 g/mol

Open in Covalent MOL file
OONHNNHOONHN+OO−
AzoEtherNitroPhenol

Properties

Molecular formula
C31H23N5O6
Molar mass
561.55 g/mol
Exact mass
561.1648 Da
logP
8.15Crippen estimate
Polar surface area
162.5 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
8

Identifiers

CAS number
6448-96-0
SMILES
COc1ccc(C(O)=Nc2ccccc2)cc1N=Nc1c(O)c(C(O)=Nc2cccc([N+](=O)[O-])c2)cc2ccccc12
InChIKey
GLZGTQYOWXFUNZ-UHFFFAOYSA-N
InChI
InChI=1S/C31H23N5O6/c1-42-27-15-14-20(30(38)32-21-9-3-2-4-10-21)17-26(27)34-35-28-24-13-6-5-8-19(24)16-25(29(28)37)31(39)33-22-11-7-12-23(18-22)36(40)41/h2-18,37H,1H3,(H,32,38)(H,33,39)

Weigh it out

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

Names and synonyms

17 names · show all
  • 2-Naphthalenecarboxamide, 3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-N-(3-nitrophenyl)-
  • C.I. Pigment red 31
  • 2-Naphthalenecarboxamide, 3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-N-(3-nitrophenyl)-
  • 3-Hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-N-(3-nitrophenyl)-2-naphthalenecarboxamide
  • C.I. 12360
  • Naftol red RN 1560
  • Naphthol violet D 3409
  • Polymo rose FBL
  • Vulcan fast bordeaux B
  • Pigment violet RB
  • C.I. Pigment red 212
  • Naphthol red 31
  • KET Red 308
  • Symuler fast red 4085
  • PR 31
  • Naphthol red FB
  • Lightfast peach red

Work with Pigment red 31

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 red 236471-49-487 % similar Pigment red 226448-95-966 % similar Pigment red 126410-32-854 % similar 4-[2-(2-Chlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthalenecarboxamide6410-26-053 % similar Pigment red 26041-94-749 % similar 3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide135-65-949 % similar 3-Hydroxy-4-[2-(4-methyl-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-2-naphthalenecarboxamide6535-47-348 % similar Pigment red 86410-30-644 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook