Cromophtal scarlet R

C40H24Cl4N6O4CAS 3905-19-9794.47 g/mol

Open in Covalent MOL file
NNClClOHONHNHOOHNNClCl
AmideAryl halideAzoPhenol

Properties

Molecular formula
C40H24Cl4N6O4
Molar mass
794.47 g/mol
Exact mass
792.0613 Da
logP
13.35Crippen estimate
Polar surface area
148.1 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
8

Hazards

Not classified as hazardous under GHS by 292 ECHA notifiers. Aggregated from 292 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
3905-19-9
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)Cl)Cl)O)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC6=CC=CC=C6C(=C5O)N=NC7=C(C=CC(=C7)Cl)Cl
InChIKey
NQDGNYQKISTHLK-UHFFFAOYSA-N
InChI
InChI=1S/C40H24Cl4N6O4/c41-23-9-15-31(43)33(19-23)47-49-35-27-7-3-1-5-21(27)17-29(37(35)51)39(53)45-25-11-13-26(14-12-25)46-40(54)30-18-22-6-2-4-8-28(22)36(38(30)52)50-48-34-20-24(42)10-16-32(34)44/h1-20,51-52H,(H,45,53)(H,46,54)

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Names and synonyms

6 names
  • 4-[(2,5-Dichlorophenyl)diazenyl]-N-[4-[[4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
  • Pigment red 166
  • N,N'-p-Phenylenebis(4-((2,5-dichlorophenyl)azo)-3-hydroxy-2-naphthalenecarboxamide)
  • N,N'-Phenylene-1,4-bis(4-((2,5-dichlorophenyl)azo)-3-hydroxynaphthalene-2-carboxamide)
  • C.I. Solvent red 166
  • N,N'-Phenylene-1,4-bis4-(2,5-dichlorophenyl)azo-3-OHnaphthalene-2-carboxamide

Work with Cromophtal scarlet R

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 26041-94-764 % similar Pigment red 86410-30-664 % similar 4-[2-(2-Chlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthalenecarboxamide6410-26-051 % similar 4'-Chloro-3-hydroxy-2-naphthanilide92-78-450 % similar Pigment red 1126535-46-246 % similar Pigment red 52:117852-99-242 % similar Pigment red 48:27023-61-242 % similar Pigment red 48:17585-41-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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