Trypan Blue

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 274
Total Number of Articles : 302
PubChem 6296
Molecular Formula

C34H24N6Na4O14S4

SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+]

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);;;;/q;4*+1/p-4

synonyms
  • TRYPAN BLUE
  • 72-57-1
  • Direct Blue 14
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Properties
Property Value
MW 960.8 g/mol
HBD 4
HBA 20
Rotatable Bond Count 5
Exact Mass 959.9824113 g/mol
Monoisotopic Mass 959.9824113 g/mol
Heavy Atom Count 62
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 5
Complexity 1790
xlogp None
Topological Polar Surface Area 404