chempirical

Fluorescent brightener 85

C36H34N12Na2O8S2CAS 12224-06-5872.84 g/mol

Open in Covalent MOL file
O−SOONHNNOHNHNHNNNHNHOHNNNHSO−OONa+Na+
AlcoholAlkeneSulfonic acid

Properties

Molecular formula
C36H34N12Na2O8S2
Molar mass
872.84 g/mol
Exact mass
872.1859 Da
logP
0.27Crippen estimate
Polar surface area
318.1 Ų
H-bond donors / acceptors
10 / 12
Rotatable bonds
12

Identifiers

CAS number
12224-06-5
SMILES
[O-]S(=O)(=O)c1cc(N=c2[nH]c(=NCCO)[nH]c(=Nc3ccccc3)[nH]2)ccc1C=Cc1ccc(N=c2[nH]c(=NCCO)[nH]c(=Nc3ccccc3)[nH]2)cc1S([O-])(=O)=O.[Na+].[Na+]
InChIKey
FBOZMGSGULUPOB-UHFFFAOYSA-N
InChI
InChI=1S/C36H36N12O8S2.2Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;

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

Names and synonyms

22 names · show all
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)
  • 2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
  • Disodium 4,4′-bis[(4′′-(2′′′-hydroxyethylamino)-6′′-anilino-1′′,3′′,5′′-triazin-2′′-yl)amino]-2,2′-stilbenedisulfonate
  • Disodium 4,4′-bis[[4-anilino-6-(2-hydroxyethylamino)-s-triazin-2-yl]amino]-2,2′-stilbenedisulfonate
  • FBA 85
  • C.I. Fluorescent brightening agent 85
  • Kayaphor AB
  • Kayaphor LB
  • Mikephor BP
  • Whitex BH
  • Whitex BK
  • Whitex LBH
  • C.I. Fluorescent brightener 85
  • Kayaphor B
  • Mikephor BX conc
  • Mikephor BX
  • C.I. 406225
  • Whitex BK conc.
  • Kayaphor BLS
  • VBL
  • Fluorescent brightener VBL

Work with Fluorescent brightener 85

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

C.I. Fluorescent brightener 26016090-02-157 % similar 2,2′-(1,2-Ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid4404-43-749 % similar Direct yellow 43051-11-447 % similar Fluorescent brightener 22016470-24-946 % similar Direct yellow 122870-32-843 % similar Tinopal cbs27344-41-837 % similar Disodium 4-acetamido-4′-isothiocyanatostilbene-2,2′-disulfonate51023-76-836 % similar Sodium O-phenolsulfonate1300-51-234 % similar

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

Elsewhere

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