4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine

C282H340N32O2S14+18 — CID 158087113

IUPAC4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine
SMILESC(=C/c1cccc[n+]1CCSSCC[n+]1ccccc1/C=C/c1cc2c3c(c1)CCCN3CCC2)\c1cc2c3c(c1)CCCN3CCC2.CN(C)c1ccc(/C=C/c2cc[n+](CCCC[N+](C)(C)CCSSCC[N+](C)(C)CCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1.CN(C)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc2cc(/C=C/c3cc[n+](CCC[N+](C)(C)CCSSCC[N+](C)(C)CCC[n+]4ccc(/C=C/c5ccc6cc(N(C)C)ccc6c5)cc4)cc3)ccc2c1.CN(C)c1ccc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6cc(N(C)C)ccc6c5)cc4)cc3)ccc2c1.CN1CCOc2cc(/C=C/c3cccc[n+]3CCSSCC[n+]3ccccc3/C=C/c3ccc4c(c3)OCCN4C)ccc21.Nc1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C52H68N6S2.C46H68N6S2.C42H48N4S2.C42H44N4S2.C36H40N4O2S2.C34H40N4S2.C30H30N4S2/c1-53(2)51-21-19-47-39-45(15-17-49(47)41-51)13-11-43-23-29-55(30-24-43)27-9-33-57(5,6)35-37-59-60-38-36-58(7,8)34-10-28-56-31-25-44(26-32-56)12-14-46-16-18-50-42-52(54(3)4)22-20-48(50)40-46;1-47(2)45-21-17-41(18-22-45)13-15-43-25-31-49(32-26-43)29-9-11-35-51(5,6)37-39-53-54-40-38-52(7,8)36-12-10-30-50-33-27-44(28-34-50)16-14-42-19-23-46(24-20-42)48(3)4;1-3-19-43(39(13-1)17-15-33-29-35-9-5-21-45-22-6-10-36(30-33)41(35)45)25-27-47-48-28-26-44-20-4-2-14-40(44)18-16-34-31-37-11-7-23-46-24-8-12-38(32-34)42(37)46;1-43(2)41-15-13-37-29-35(9-11-39(37)31-41)7-5-33-17-21-45(22-18-33)25-27-47-48-28-26-46-23-19-34(20-24-46)6-8-36-10-12-40-32-42(44(3)4)16-14-38(40)30-36;1-37-19-23-41-35-27-29(11-15-33(35)37)9-13-31-7-3-5-17-39(31)21-25-43-44-26-22-40-18-6-4-8-32(40)14-10-30-12-16-34-36(28-30)42-24-20-38(34)2;1-35(2)31-17-11-29(12-18-31)15-21-33-9-5-7-23-37(33)25-27-39-40-28-26-38-24-8-6-10-34(38)22-16-30-13-19-32(20-14-30)36(3)4;31-27-13-7-25(8-14-27)11-17-29-5-1-3-19-33(29)21-23-35-36-24-22-34-20-4-2-6-30(34)18-12-26-9-15-28(32)16-10-26/h11-26,29-32,39-42H,9-10,27-28,33-38H2,1-8H3;13-28,31-34H,9-12,29-30,35-40H2,1-8H3;1-4,13-20,29-32H,5-12,21-28H2;5-24,29-32H,25-28H2,1-4H3;3-18,27-28H,19-26H2,1-2H3;5-24H,25-28H2,1-4H3;1-20,31-32H,21-24H2/q2*+4;4*+2;/p+2
InChIKeyFNQKXQCSTLBXGV-UHFFFAOYSA-P
MW4658.98 g/mol
LogP54.79
Rot. Bonds103

About 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine

4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine (PubChem CID 158087113) has the molecular formula C282H340N32O2S14+18 and a molecular weight of 4658.98 g/mol. Its IUPAC name is 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine
PubChem CID158087113
Molecular FormulaC282H340N32O2S14+18
Molecular Weight4658.98 g/mol
Exact Mass4654.35
IUPAC Name4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine
SMILESC(=C/c1cccc[n+]1CCSSCC[n+]1ccccc1/C=C/c1cc2c3c(c1)CCCN3CCC2)\c1cc2c3c(c1)CCCN3CCC2.CN(C)c1ccc(/C=C/c2cc[n+](CCCC[N+](C)(C)CCSSCC[N+](C)(C)CCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1.CN(C)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc2cc(/C=C/c3cc[n+](CCC[N+](C)(C)CCSSCC[N+](C)(C)CCC[n+]4ccc(/C=C/c5ccc6cc(N(C)C)ccc6c5)cc4)cc3)ccc2c1.CN(C)c1ccc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6cc(N(C)C)ccc6c5)cc4)cc3)ccc2c1.CN1CCOc2cc(/C=C/c3cccc[n+]3CCSSCC[n+]3ccccc3/C=C/c3ccc4c(c3)OCCN4C)ccc21.Nc1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C52H68N6S2.C46H68N6S2.C42H48N4S2.C42H44N4S2.C36H40N4O2S2.C34H40N4S2.C30H30N4S2/c1-53(2)51-21-19-47-39-45(15-17-49(47)41-51)13-11-43-23-29-55(30-24-43)27-9-33-57(5,6)35-37-59-60-38-36-58(7,8)34-10-28-56-31-25-44(26-32-56)12-14-46-16-18-50-42-52(54(3)4)22-20-48(50)40-46;1-47(2)45-21-17-41(18-22-45)13-15-43-25-31-49(32-26-43)29-9-11-35-51(5,6)37-39-53-54-40-38-52(7,8)36-12-10-30-50-33-27-44(28-34-50)16-14-42-19-23-46(24-20-42)48(3)4;1-3-19-43(39(13-1)17-15-33-29-35-9-5-21-45-22-6-10-36(30-33)41(35)45)25-27-47-48-28-26-44-20-4-2-14-40(44)18-16-34-31-37-11-7-23-46-24-8-12-38(32-34)42(37)46;1-43(2)41-15-13-37-29-35(9-11-39(37)31-41)7-5-33-17-21-45(22-18-33)25-27-47-48-28-26-46-23-19-34(20-24-46)6-8-36-10-12-40-32-42(44(3)4)16-14-38(40)30-36;1-37-19-23-41-35-27-29(11-15-33(35)37)9-13-31-7-3-5-17-39(31)21-25-43-44-26-22-40-18-6-4-8-32(40)14-10-30-12-16-34-36(28-30)42-24-20-38(34)2;1-35(2)31-17-11-29(12-18-31)15-21-33-9-5-7-23-37(33)25-27-39-40-28-26-38-24-8-6-10-34(38)22-16-30-13-19-32(20-14-30)36(3)4;31-27-13-7-25(8-14-27)11-17-29-5-1-3-19-33(29)21-23-35-36-24-22-34-20-4-2-6-30(34)18-12-26-9-15-28(32)16-10-26/h11-26,29-32,39-42H,9-10,27-28,33-38H2,1-8H3;13-28,31-34H,9-12,29-30,35-40H2,1-8H3;1-4,13-20,29-32H,5-12,21-28H2;5-24,29-32H,25-28H2,1-4H3;3-18,27-28H,19-26H2,1-2H3;5-24H,25-28H2,1-4H3;1-20,31-32H,21-24H2/q2*+4;4*+2;/p+2
InChIKeyFNQKXQCSTLBXGV-UHFFFAOYSA-P
XLogP54.79
TPSA163.70 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds103
Heavy Atoms330
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004658.98
LogP ≤ 554.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine (CID 158087113) is 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine is C(=C/c1cccc[n+]1CCSSCC[n+]1ccccc1/C=C/c1cc2c3c(c1)CCCN3CCC2)\c1cc2c3c(c1)CCCN3CCC2.CN(C)c1ccc(/C=C/c2cc[n+](CCCC[N+](C)(C)CCSSCC[N+](C)(C)CCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1.CN(C)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc2cc(/C=C/c3cc[n+](CCC[N+](C)(C)CCSSCC[N+](C)(C)CCC[n+]4ccc(/C=C/c5ccc6cc(N(C)C)ccc6c5)cc4)cc3)ccc2c1.CN(C)c1ccc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6cc(N(C)C)ccc6c5)cc4)cc3)ccc2c1.CN1CCOc2cc(/C=C/c3cccc[n+]3CCSSCC[n+]3ccccc3/C=C/c3ccc4c(c3)OCCN4C)ccc21.Nc1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine?
The InChIKey is FNQKXQCSTLBXGV-UHFFFAOYSA-P. The full InChI is InChI=1S/C52H68N6S2.C46H68N6S2.C42H48N4S2.C42H44N4S2.C36H40N4O2S2.C34H40N4S2.C30H30N4S2/c1-53(2)51-21-19-47-39-45(15-17-49(47)41-51)13-11-43-23-29-55(30-24-43)27-9-33-57(5,6)35-37-59-60-38-36-58(7,8)34-10-28-56-31-25-44(26-32-56)12-14-46-16-18-50-42-52(54(3)4)22-20-48(50)40-46;1-47(2)45-21-17-41(18-22-45)13-15-43-25-31-49(32-26-43)29-9-11-35-51(5,6)37-39-53-54-40-38-52(7,8)36-12-10-30-50-33-27-44(28-34-50)16-14-42-19-23-46(24-20-42)48(3)4;1-3-19-43(39(13-1)17-15-33-29-35-9-5-21-45-22-6-10-36(30-33)41(35)45)25-27-47-48-28-26-44-20-4-2-14-40(44)18-16-34-31-37-11-7-23-46-24-8-12-38(32-34)42(37)46;1-43(2)41-15-13-37-29-35(9-11-39(37)31-41)7-5-33-17-21-45(22-18-33)25-27-47-48-28-26-46-23-19-34(20-24-46)6-8-36-10-12-40-32-42(44(3)4)16-14-38(40)30-36;1-37-19-23-41-35-27-29(11-15-33(35)37)9-13-31-7-3-5-17-39(31)21-25-43-44-26-22-40-18-6-4-8-32(40)14-10-30-12-16-34-36(28-30)42-24-20-38(34)2;1-35(2)31-17-11-29(12-18-31)15-21-33-9-5-7-23-37(33)25-27-39-40-28-26-38-24-8-6-10-34(38)22-16-30-13-19-32(20-14-30)36(3)4;31-27-13-7-25(8-14-27)11-17-29-5-1-3-19-33(29)21-23-35-36-24-22-34-20-4-2-6-30(34)18-12-26-9-15-28(32)16-10-26/h11-26,29-32,39-42H,9-10,27-28,33-38H2,1-8H3;13-28,31-34H,9-12,29-30,35-40H2,1-8H3;1-4,13-20,29-32H,5-12,21-28H2;5-24,29-32H,25-28H2,1-4H3;3-18,27-28H,19-26H2,1-2H3;5-24H,25-28H2,1-4H3;1-20,31-32H,21-24H2/q2*+4;4*+2;/p+2.
What are the key properties of 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine?
4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine has a molecular weight of 4658.98 g/mol, XLogP of 54.79, 103 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-aminophenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]aniline;7-[(E)-2-[1-[2-[2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-[(E)-2-[1-[2-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-[2-[2-[4-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[2-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 158087113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).