Alcian blue 8gx

copper;[dimethylamino-[[15,24,34-tris[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaen-6-yl]methylsulfanyl]methylidene]-dimethylazanium;tetrachloride

Also Known As: Alcian blue 8gx|Alcian Blue 8GS|ALCIAN BLUE|EINECS 251-705-7|C.I. 74240|ALCIAN BLUE 8 GS (C.I. 74240)|Copper(4+), ((N,N',N'',N'''-((29H,31H-phthalocyaninetetrayl-kappaN29,kappaN30,kappaN31,kappaN32)tetrakis(methylenethio((dimethylamino)methylidyne)))tetrakis(N-methylmethanaminiumato))(2-))-, tetrachloride|Copper;[dimethylamino-[[15,24,34-tris[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaen-6-yl]methylsulfanyl]methylidene]-dimethylazanium;tetrachloride|((N,N',N'',N'''-(29H,31H-Phthalocyaninetetrayltetrakis(methylenethio((dimethylamino)methylidyne)))tetrakis(dimethylammoniumato))(2-)-N29,N30,N31,N32)copper(4+) tetrachloride|Copper(4+), ((N,N',N'',N'''-((29H,31H-phthalocyanine-C,C,C,C-tetrayl-kappaN29,kappaN30,kappaN31,kappaN32)tetrakis(methylenethio((dimethylamino)methylidyne)))tetrakis(N-methylmethanaminiumato))(2-))-, chloride (1:4)|[[N,N',N'',N'''-[29H,31H-Phthalocyaninetetrayltetrakis[methylenethio[(dimethylamino)methylidyne]]]tetrakis[dimethylammoniumato]](2-)-N29,N30,N31,N32]copper(4+) tetrachloride|251-705-7|Copper(4+), ((N,N',N'',N'''-(29H,31H-phthalocyaninetetrayltetrakis(methylenethio((dimethylamino)methylidyne)))tetrakis(N-methylmethanaminato))(2-)-N29,N30,N31,N32)-, tetrachloride|Copper(4+), [[N,N',N'',N'''-[(29H,31H-phthalocyanine-C,C,C,C-tetrayl-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32)tetrakis[methylenethio[(dimethylamino)methylidyne]]]tetrakis[N-methylmethanaminiumato]](2-)]-, chloride (1:4)|Copper(4+), [[N,N',N'',N'''-[(29H,31H-phthalocyaninetetrayl-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32)tetrakis[methylenethio[(dimethylamino)methylidyne]]]tetrakis[N-methylmethanaminiumato]](2-)]-, tetrachloride|Copper(4++), ((N,N',N'',N'''-(29H,31H-phthalocyaninetetrayltetrakis(methylenethio((dimethylamino)methylidyne)))tetrakis(N-methylmethanaminiumato))(2-)-N29,N39,N31,N32)-, tetrachloride

Molecular Formula	C56H68Cl4CuN16S4
Molecular Weight	1295.2745 g/mol
LogP	-4.1675
Topological Polar Surface Area	130.54 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	1295.2745
Monoisotopic Mass	1297.2716
Heavy Atoms	81
Complexity	3749.2878

Chemical Identifiers

CAS Number	33864-99-2
SMILES	CN(C)C(=[N+](C)C)SCC1=CC2=C(C=C1)C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)CSC(=[N+](C)C)N(C)C)C(=N7)N=C2[N-]3)CSC(=[N+](C)C)N(C)C)C9=C4C=CC(=C9)CSC(=[N+](C)C)N(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2]