N,N-dimethyl-1-[2,3,4,5-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]-6-[[(triphenyl-$l^{5}-phosphanylidene)amino]diazenyl]phenyl]pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: N,N-dimethyl-1-[2,3,4,5-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]-6-[[(triphenyl-$l^{5}-phosphanylidene)amino]diazenyl]phenyl]pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate Openeye Name: N,N-dimethyl-1-[2,3,4,5-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]-6-[(triphenyl-$l^{5}-phosphanylidene)amino]azo-phenyl]pyridin-1-ium-4-amine; trifluoromethanesulfonate CAS Name: N,N-dimethyl-1-[2,3,4,5-tetrakis[4-(dimethylamino)-1-pyridin-1-iumyl]-6-(triphenylphosphoranylideneamino)azophenyl]-4-pyridin-1-iumamine; trifluoromethanesulfonate IUPAC Name: N,N-dimethyl-1-[2,3,4,5-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]-6-[[(triphenyl-$l^{5}-phosphanylidene)amino]diazenyl]phenyl]pyridin-1-ium-4-amine; trifluoromethanesulfonate Traditional Name: dimethyl-[1-[2,3,4,5-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]-6-(triphenylphosphoranylideneamino)azo-phenyl]pyridin-1-ium-4-yl]amine pentatriflate Formula: C64H65F15N13O15PS5 MolecularWeight: 1732.553809

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=C(C(=C(C(=C2[N+]3=CC=C(C=C3)N(C)C)[N+]4=CC=C(C=C4)N(C)C)[N+]5=CC=C(C=C5)N(C)C)[N+]6=CC=C(C=C6)N(C)C)N=NN=P(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C2=C(C(=C(C(=C2[N+]3=CC=C(C=C3)N(C)C)[N+]4=CC=C(C=C4)N(C)C)[N+]5=CC=C(C=C5)N(C)C)[N+]6=CC=C(C=C6)N(C)C)N=NN=P(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C59H65N13P.5CHF3O3S/c1-63(2)46-26-36-68(37-27-46)55-54(60-61-62-73(51-20-14-11-15-21-51,52-22-16-12-17-23-52)53-24-18-13-19-25-53)56(69-38-28-47(29-39-69)64(3)4)58(71-42-32-49(33-43-71)66(7)8)59(72-44-34-50(35-45-72)67(9)10)57(55)70-40-30-48(31-41-70)65(5)6;5*2-1(3,4)8(5,6)7/h11-45H,1-10H3;5*(H,5,6,7)/q+5;;;;;/p-5