chempirical

Diphenyl fast brown BRL

C31H18CuN6Na2O9SCAS 16071-86-6760.10 g/mol

Open in Covalent MOL file
OHONNNNO−NNSOOHOO−O−O−Cu2+Na+Na+
AzoCarboxylic acidSulfonic acid

Properties

Molecular formula
C31H18CuN6Na2O9S
Molar mass
760.10 g/mol
Exact mass
758.9947 Da
logP
-0.16Crippen estimate
Polar surface area
258.1 Ų
H-bond donors / acceptors
2 / 13
Rotatable bonds
9

Identifiers

CAS number
16071-86-6
SMILES
O=C(O)c1cc(N=Nc2ccc(-c3ccc(N=Nc4c([O-])ccc(N=Nc5cc(S(=O)(=O)O)ccc5[O-])c4[O-])cc3)cc2)ccc1[O-].[Cu+2].[Na+].[Na+]
InChIKey
HZBTZQVWJPRVDN-UHFFFAOYSA-J
InChI
InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4

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

Names and synonyms

78 names · show all
  • Cuprate(2-), [2-hydroxy-5-[2-[4′-[2-[2-(hydroxy-κO)-6-hydroxy-3-[2-[2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN1]phenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]benzoato(4-)]-, sodium (1:2)
  • Copper, [dihydrogen 5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo]-4-biphenylyl]azo]salicylato(2-)]-, disodium salt
  • C.I. Direct brown 95
  • Cuprate(2-), [5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxybenzoato(4-)]-, disodium
  • Cuprate(2-), [5-[[4′-[[2-(hydroxy-κO)-6-hydroxy-3-[[2-(hydroxy-κO)-5-sulfophenyl]azo-κN1]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxybenzoato(4-)]-, disodium
  • Benzoic acid, 5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxy-, copper complex
  • C.I. 30145
  • Aizen primula brown BRLH
  • Aizen primula brown PLH
  • Amanil fast brown BRL
  • Amanil supra brown LBL
  • Atlantic fast brown BRL
  • Atlantic resin fast brown BRL
  • Belamine fast brown BRLL
  • Benzanil supra brown BRLL
  • Benzanil supra brown BRLN
  • Brown 4EMBL
  • Calcodur brown BRL
  • Chloramine fast brown BRL
  • Chloramine fast cutch brown PL
  • Chlorantine fast brown BRLL
  • Chrome leather brown BRLL
  • Chrome leather brown BRSL
  • Cuprofix brown GL
  • Derma fast brown W-GL
  • Dermafix brown PL
  • Dialuminous brown BRS
  • Diaphtamine light brown BRLL
  • Diazine fast brown RSL
  • Diazol light brown BRN
  • Dicorel brown LMR
  • Direct brown 95
  • Direct brown BRL
  • Direct fast brown BRL
  • Direct fast brown LMR
  • Direct light brown BRS
  • Direct supra light brown ML
  • Durazol brown BR
  • Durofast brown BRL
  • Eliamina light brown BRL
  • Enianil light brown BRL
  • Fastolite brown BRL
  • Fastusol brown LBRSA
  • Fastusol brown LBRSN
  • Fenaluz brown BRL
  • Helion brown BRSL
  • Hispaluz brown BRL
  • Kayarus supra brown BRS
  • KCA light fast brown BR
  • Paranol fast brown BRL
  • Peeramine fast brown BRL
  • Pontamine fast brown BRL
  • Pontamine fast brown NP
  • Pyrazol fast brown BRL
  • Pyrazoline brown BRL
  • Saturn brown LBR
  • Sirius supra brown BRL
  • Sirius supra brown BRS
  • Solantine brown BRL
  • Solar brown PL
  • Solex brown R
  • Solius light brown BRLL
  • Solius light brown BRS
  • Sumilight supra brown BRS
  • Suprazo brown BRL
  • Suprexcel brown BRL
  • Tertrodirect fast brown BR
  • Tetramine fast brown BRDN extra
  • Tetramine fast brown BRP
  • Tetramine fast brown BRS
  • Triantine brown BRS
  • Triantine fast brown OG
  • Triantine fast brown or
  • Triantine light brown BRS
  • Triantine light brown OG
  • Direct lightfast brown M
  • Sirius supra brown BR
  • Vopsider brown DLMR

Work with Diphenyl fast brown BRL

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

4-Sulfophthalic acid89-08-736 % similar Diphenyl brown GR3811-71-035 % similar 5-Sulfosalicylic acid97-05-235 % similar 5-Sulfoanthranilic acid3577-63-734 % similar C.I. Mordant yellow 106054-99-532 % similar Ponceau S6226-79-532 % similar Zincon135-52-431 % similar 5-Sodiosulfoisophthalic acid6362-79-431 % similar

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

Elsewhere

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