chempirical

Direct blue 15

C34H24N6Na4O16S4CAS 2429-74-5992.79 g/mol

Open in Covalent MOL file
ONNHOH2NSO−OOSO−OOONNOHNH2SO−OOSO−OONa+Na+Na+Na+
AzoEtherPhenolPrimary amineSulfonic acid

Properties

Molecular formula
C34H24N6Na4O16S4
Molar mass
992.79 g/mol
Exact mass
991.9722 Da
logP
4.55Crippen estimate
Polar surface area
377.9 Ų
H-bond donors / acceptors
8 / 18
Rotatable bonds
11

Identifiers

CAS number
2429-74-5
SMILES
COc1cc(-c2ccc(N=Nc3c(O)c4c(N)cc(S([O-])(=O)=O)cc4cc3S([O-])(=O)=O)c(OC)c2)ccc1N=Nc1c(O)c2c(N)cc(S([O-])(=O)=O)cc2cc1S([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
InChIKey
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);;;;

Weigh it out

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

Names and synonyms

61 names · show all
  • 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)
  • Direct sky blue
  • 2,7-Naphthalenedisulfonic acid, 3,3′-[(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt
  • C.I. Direct blue 15
  • C.I. 24400
  • Airedale blue D
  • Aizen direct sky blue 5BH
  • Amanil sky blue
  • Atlantic sky blue A
  • Atul direct sky blue
  • Azine sky blue 5B
  • Belamine sky blue A
  • Benzanil sky blue
  • Benzo sky blue S
  • Benzo sky blue A-CF
  • Chloramine sky blue A
  • Chloramine sky blue 4B
  • Chrome leather pure blue
  • Cresotine pure blue
  • Diacotton sky blue 5B
  • Diamine sky blue
  • Diaphtamine pure blue
  • Diazol pure blue 4B
  • Diphenyl brilliant blue
  • Diphenyl sky blue 6B
  • Direct blue 10G
  • Direct blue HH
  • Direct pure blue M
  • Direct sky blue A
  • Enianil pure blue an
  • Fenamin sky blue
  • Hispamin sky blue 3B
  • Kayaku direct sky blue 5B
  • Mitsui direct sky blue 5B
  • Naphtamine blue 10G
  • Niagara blue 4B
  • Niagara sky blue
  • Nippon direct sky blue
  • Nitto direct sky blue 5B
  • Phenamine sky blue A
  • Shikiso direct sky blue 5B
  • Sky blue 4B
  • Sky blue 5B
  • Tertrodirect blue F
  • Vondacel blue HH
  • Pontamine sky blue 5BX
  • Direct sky blue 5B
  • Cartasol blue 2GF
  • Diamine blue 6B
  • Direct pure blue
  • Paper blue S
  • Kayafect blue Y
  • Aizen direct sky blue 5B
  • Nippon sky blue
  • Oxamine sky blue 5B
  • Direct blue FFN
  • Direct lake blue 5B
  • Direct blue FFN-B 15
  • Resacor blue 2F
  • Methyl violet 5BN
  • Lake blue 5B

Work with Direct blue 15

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

Trypan blue72-57-178 % similar Direct blue 62602-46-271 % similar Diaminogene velour black B2429-73-461 % similar Chrome dark blue1058-92-054 % similar Direct black 196428-31-552 % similar Direct black 381937-37-752 % similar C.I. Direct black 172945-96-252 % similar Sodium 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonate (4:1)68504-35-852 % similar

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

Elsewhere

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