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

Systemtic Name: 1-[2-azanyl-4,5,6-tris[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(triphenyl-$l^{5}-phosphanylidene)amino]phenyl]-N,N-dimethyl-pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-[2-amino-4,5,6-tris[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(triphenyl-$l^{5}-phosphanylidene)amino]phenyl]-N,N-dimethyl-pyridin-1-ium-4-amine; trifluoromethanesulfonate CAS Name: 1-[2-amino-4,5,6-tris[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(triphenylphosphoranylideneamino)phenyl]-N,N-dimethyl-4-pyridin-1-iumamine; trifluoromethanesulfonate IUPAC Name: 1-[2-amino-4,5,6-tris[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(triphenyl-$l^{5}-phosphanylidene)amino]phenyl]-N,N-dimethylpyridin-1-ium-4-amine; trifluoromethanesulfonate Traditional Name: [1-[2-amino-4,5,6-tris[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(triphenylphosphoranylideneamino)phenyl]pyridin-1-ium-4-yl]-dimethyl-amine tetratriflate Formula: C56H57F12N10O12PS4 MolecularWeight: 1449.326179

Click to see the large picture

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=P(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)N.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=P(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)N.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/C52H57N10P.4CHF3O3S/c1-55(2)40-24-32-59(33-25-40)49-47(53)48(54-63(44-18-12-9-13-19-44,45-20-14-10-15-21-45)46-22-16-11-17-23-46)50(60-34-26-41(27-35-60)56(3)4)52(62-38-30-43(31-39-62)58(7)8)51(49)61-36-28-42(29-37-61)57(5)6;4*2-1(3,4)8(5,6)7/h9-39H,53H2,1-8H3;4*(H,5,6,7)/q+4;;;;/p-4