chempirical

Trypan blue

C34H24N6Na4O14S4CAS 72-57-1960.79 g/mol

Open in Covalent MOL file
NNHOH2NSO−OOSO−OONNOHNH2SO−OOSO−OONa+Na+Na+Na+
AzoPhenolPrimary amineSulfonic acid

Properties

Molecular formula
C34H24N6Na4O14S4
Molar mass
960.79 g/mol
Exact mass
959.9824 Da
Melting point
above 300 °C
logP
5.15Crippen estimate
Polar surface area
359.4 Ų
H-bond donors / acceptors
8 / 16
Rotatable bonds
9

Identifiers

CAS number
72-57-1
SMILES
Cc1cc(-c2ccc(N=Nc3c(O)c4c(N)cc(S([O-])(=O)=O)cc4cc3S([O-])(=O)=O)c(C)c2)ccc1N=Nc1c(O)c2c(N)cc(S([O-])(=O)=O)cc2cc1S([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
InChIKey
UBHCTCVOHFAILV-UHFFFAOYSA-N
InChI
InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)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

38 names · show all
  • 2,7-Naphthalenedisulfonic acid, 3,3′-[(3,3′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[5-amino-4-hydroxy-, sodium salt (1:4)
  • C.I. Direct Blue 14, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 3,3′-[(3,3′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt
  • Diphenyl blue
  • Blue 3B
  • C.I. 23850
  • Amanil sky blue R
  • Bencidal blue 3B
  • Benzamine blue
  • Benzanil blue 3BN
  • Benzo blue
  • Benzo blue 3BS
  • Blue EMB
  • Brasilamina blue 3B
  • Chloramine blue 3B
  • Chrome leather blue 3B
  • C.I. Direct blue 14
  • Congo blue
  • Cresotine blue 3B
  • Diamineblue
  • Diamine blue 3B
  • Diaphtamine blue TH
  • Diazine blue 3B
  • Diazol blue 3B
  • Diphenyl blue 3B
  • Direct blue M 3B
  • Direct blue 3B
  • Hispamin blue 3BX
  • Naphthylamine blue
  • Niagara blue
  • Niagara blue 3B
  • Paramine blue 3B
  • Pontamine blue 3BX
  • Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulfonate
  • Trypan blue BPC
  • Trypane blue
  • Direct blue 14
  • Trypan (congo) blue

Work with Trypan blue

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

Direct blue 152429-74-578 % similar Direct blue 62602-46-273 % similar Diaminogene velour black B2429-73-463 % similar Direct black 196428-31-554 % similar Direct black 381937-37-753 % similar Sodium 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonate (4:1)68504-35-853 % similar Ponceau 3R3564-09-853 % similar Chrome dark blue1058-92-053 % similar

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

Same formula

Evan'S blue314-13-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia