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Molecule

Direct Blue 15

CAS: 2429-74-5 · C34H28N6Na4O16S4

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
2429-74-5
Molecular Formula
C34H28N6Na4O16S4
Molecular Mass
996.85 g/mol

Identifiers

CAS Registry Number

2429-74-5

SMILES

COc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(OC)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O.[Na].[Na].[Na].[Na]

InChI Key

DMIFRONOSFLVBR-UHFFFAOYSA-N

InChI

InChI=1S/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;

Names and Synonyms

  • Direct Blue 15 Synonym
  • 2,7-Naphthalenedisulfonic acid, 3,3′-[(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[5-amino-4-hydroxy-, sodium salt (1:4) Synonym
  • Direct Sky Blue Synonym
  • 2,7-Naphthalenedisulfonic acid, 3,3′-[(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt Synonym
  • C.I. Direct Blue 15 Synonym
  • C.I. 24400 Synonym
  • Airedale Blue D Synonym
  • Aizen Direct Sky Blue 5BH Synonym
  • Amanil Sky Blue Synonym
  • Atlantic Sky Blue A Synonym
  • Atul Direct Sky Blue Synonym
  • Azine Sky Blue 5B Synonym
  • Belamine Sky Blue A Synonym
  • Benzanil Sky Blue Synonym
  • Benzo Sky Blue S Synonym
  • Benzo Sky Blue A-CF Synonym
  • Chloramine Sky Blue A Synonym
  • Chloramine Sky Blue 4B Synonym
  • Chrome Leather Pure Blue Synonym
  • Cresotine Pure Blue Synonym
  • Diacotton Sky Blue 5B Synonym
  • Diamine Sky Blue Synonym
  • Diaphtamine Pure Blue Synonym
  • Diazol Pure Blue 4B Synonym
  • Diphenyl Brilliant Blue Synonym
  • Diphenyl Sky Blue 6B Synonym
  • Direct Blue 10G Synonym
  • Direct Blue 15 Synonym
  • Direct Blue HH Synonym
  • Direct Pure Blue M Synonym
  • Direct Sky Blue A Synonym
  • Enianil Pure Blue AN Synonym
  • Fenamin Sky Blue Synonym
  • Hispamin Sky Blue 3B Synonym
  • Kayaku Direct Sky Blue 5B Synonym
  • Mitsui Direct Sky Blue 5B Synonym
  • Naphtamine Blue 10G Synonym
  • Niagara Blue 4B Synonym
  • Niagara Sky Blue Synonym
  • Nippon Direct Sky Blue Synonym
  • Nitto Direct Sky Blue 5B Synonym
  • Phenamine Sky Blue A Synonym
  • Shikiso Direct Sky Blue 5B Synonym
  • Sky Blue 4B Synonym
  • Sky Blue 5B Synonym
  • Tertrodirect Blue F Synonym
  • Vondacel Blue HH Synonym
  • Pontamine Sky Blue 5BX Synonym
  • Direct Sky Blue 5B Synonym
  • Cartasol Blue 2GF Synonym
  • Diamine Blue 6B Synonym
  • Direct Pure Blue Synonym
  • Paper Blue S Synonym
  • Kayafect Blue Y Synonym
  • Aizen Direct Sky Blue 5B Synonym
  • Nippon Sky Blue Synonym
  • Oxamine Sky Blue 5B Synonym
  • Direct Blue FFN Synonym
  • Direct Lake Blue 5B Synonym
  • Direct Blue FFN-B 15 Synonym
  • Resacor Blue 2F Synonym
  • Methyl Violet 5BN Synonym
  • Lake Blue 5B Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 996.85 g/mol CAS Common Chemistry
996.8520000000002 g/mol RDKit
996.852 g/mol RDKit
1000.856 g/mol chempirical lib
Wikipedia Url https://en.wikipedia.org/wiki/Direct_Blue_15 CAS Common Chemistry
Canonical SMILES [Na].O=S(=O)(O)C1=CC(N)=C2C(O)=C(N=NC=3C=CC(=CC3OC)C4=CC=C(N=NC5=C(O)C6=C(N)C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)C(OC)=C4)C(=CC2=C1)S(=O)(=O)O CAS Common Chemistry
InChI InChI=1S/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;; CAS Common Chemistry
InChI Key InChIKey=DMIFRONOSFLVBR-UHFFFAOYSA-N CAS Common Chemistry
Name Direct Blue 15 CAS Common Chemistry
Heavy Atom Count 64 RDKit
Hydrogen Bond Acceptors 18 RDKit
Hydrogen Bond Donors 8 RDKit
Rotatable Bonds 11 RDKit
Aromatic Ring Count 6 RDKit
Topological Polar Surface Area 377.88 Ų RDKit
LogP 4.547200000000002 RDKit
4.5472 RDKit
Molar Refractivity 235.65879999999987 cm³/mol RDKit
Ring Count 6 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0588 RDKit
0.06 chempirical lib
Exact Mass 996.0035399360002 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 996.85 g/mol. Edit any field — others recompute live.

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