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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium)

C279H373N39O5S13+20 — CID 158314990

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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium)
SMILESCCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CC)CCO)cc4C)cc3C)c(C)c2)c(C)c1.CN(C)CCCN(C)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(C)CCCN(C)C)cc4)cc3)cc2)cc1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(C)CCC[N+](C)(C)C)cc2)cc1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(C)CCC[N+](C)(C)C)cc2)cc1.C[n+]1ccccc1SCCCC[n+]1ccc(/C=C/c2ccc(NCCCn3ccnc3)cc2)cc1.Cn1cc[n+](C)c1SCCCC[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1.Cn1cc[n+](C)c1SCC[n+]1ccc(/C=C/c2ccccc2NCCO)cc1.Nc1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/2C44H64N6S2.C42H58N6S2.C42H56N4O2S2.C30H30N4S2.C29H34N5S.C26H36N4O2S.C22H27N4OS/c2*1-45(29-13-35-49(3,4)5)41-23-17-39(18-24-41)21-27-43-15-9-11-31-47(43)33-37-51-52-38-34-48-32-12-10-16-44(48)28-22-40-19-25-42(26-20-40)46(2)30-14-36-50(6,7)8;1-43(2)25-7-27-45(5)41-17-13-37(14-18-41)9-11-39-21-29-47(30-22-39)33-35-49-50-36-34-48-31-23-40(24-32-48)12-10-38-15-19-42(20-16-38)46(6)28-8-26-44(3)4;1-7-43(21-25-47)41-15-13-39(33(3)29-41)11-9-37-17-19-45(35(5)31-37)23-27-49-50-28-24-46-20-18-38(32-36(46)6)10-12-40-14-16-42(30-34(40)4)44(8-2)22-26-48;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;1-32-18-3-2-7-29(32)35-24-5-4-19-33-21-14-27(15-22-33)9-8-26-10-12-28(13-11-26)31-16-6-20-34-23-17-30-25-34;1-27-16-17-28(2)26(27)33-22-4-3-13-29-14-11-24(12-15-29)6-5-23-7-9-25(10-8-23)30(18-20-31)19-21-32;1-24-14-15-25(2)22(24)28-18-16-26-12-9-19(10-13-26)7-8-20-5-3-4-6-21(20)23-11-17-27/h2*9-12,15-28,31-32H,13-14,29-30,33-38H2,1-8H3;9-24,29-32H,7-8,25-28,33-36H2,1-6H3;9-20,29-32,47-48H,7-8,21-28H2,1-6H3;1-20,31-32H,21-24H2;2-3,7-15,17-18,21-23,25H,4-6,16,19-20,24H2,1H3;5-12,14-17,31-32H,3-4,13,18-22H2,1-2H3;3-10,12-15,27H,11,16-18H2,1-2H3/q2*+4;2*+2;;+1;+2;+1/p+4
InChIKeyGODQSYHKVRCMPJ-UHFFFAOYSA-R
MW4770.19 g/mol
LogP46.78
Rot. Bonds128

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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium)

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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium) (PubChem CID 158314990) has the molecular formula C279H373N39O5S13+20 and a molecular weight of 4770.19 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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium).

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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium)
PubChem CID158314990
Molecular FormulaC279H373N39O5S13+20
Molecular Weight4770.19 g/mol
Exact Mass4765.64
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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium)
SMILESCCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CC)CCO)cc4C)cc3C)c(C)c2)c(C)c1.CN(C)CCCN(C)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(C)CCCN(C)C)cc4)cc3)cc2)cc1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(C)CCC[N+](C)(C)C)cc2)cc1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(C)CCC[N+](C)(C)C)cc2)cc1.C[n+]1ccccc1SCCCC[n+]1ccc(/C=C/c2ccc(NCCCn3ccnc3)cc2)cc1.Cn1cc[n+](C)c1SCCCC[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1.Cn1cc[n+](C)c1SCC[n+]1ccc(/C=C/c2ccccc2NCCO)cc1.Nc1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/2C44H64N6S2.C42H58N6S2.C42H56N4O2S2.C30H30N4S2.C29H34N5S.C26H36N4O2S.C22H27N4OS/c2*1-45(29-13-35-49(3,4)5)41-23-17-39(18-24-41)21-27-43-15-9-11-31-47(43)33-37-51-52-38-34-48-32-12-10-16-44(48)28-22-40-19-25-42(26-20-40)46(2)30-14-36-50(6,7)8;1-43(2)25-7-27-45(5)41-17-13-37(14-18-41)9-11-39-21-29-47(30-22-39)33-35-49-50-36-34-48-31-23-40(24-32-48)12-10-38-15-19-42(20-16-38)46(6)28-8-26-44(3)4;1-7-43(21-25-47)41-15-13-39(33(3)29-41)11-9-37-17-19-45(35(5)31-37)23-27-49-50-28-24-46-20-18-38(32-36(46)6)10-12-40-14-16-42(30-34(40)4)44(8-2)22-26-48;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;1-32-18-3-2-7-29(32)35-24-5-4-19-33-21-14-27(15-22-33)9-8-26-10-12-28(13-11-26)31-16-6-20-34-23-17-30-25-34;1-27-16-17-28(2)26(27)33-22-4-3-13-29-14-11-24(12-15-29)6-5-23-7-9-25(10-8-23)30(18-20-31)19-21-32;1-24-14-15-25(2)22(24)28-18-16-26-12-9-19(10-13-26)7-8-20-5-3-4-6-21(20)23-11-17-27/h2*9-12,15-28,31-32H,13-14,29-30,33-38H2,1-8H3;9-24,29-32H,7-8,25-28,33-36H2,1-6H3;9-20,29-32,47-48H,7-8,21-28H2,1-6H3;1-20,31-32H,21-24H2;2-3,7-15,17-18,21-23,25H,4-6,16,19-20,24H2,1H3;5-12,14-17,31-32H,3-4,13,18-22H2,1-2H3;3-10,12-15,27H,11,16-18H2,1-2H3/q2*+4;2*+2;;+1;+2;+1/p+4
InChIKeyGODQSYHKVRCMPJ-UHFFFAOYSA-R
XLogP46.78
TPSA302.65 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds128
Heavy Atoms336
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004770.19
LogP ≤ 546.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium) 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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium)?
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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium) (CID 158314990) 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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium).
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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium)?
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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium) is CCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CC)CCO)cc4C)cc3C)c(C)c2)c(C)c1.CN(C)CCCN(C)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(C)CCCN(C)C)cc4)cc3)cc2)cc1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(C)CCC[N+](C)(C)C)cc2)cc1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(C)CCC[N+](C)(C)C)cc2)cc1.C[n+]1ccccc1SCCCC[n+]1ccc(/C=C/c2ccc(NCCCn3ccnc3)cc2)cc1.Cn1cc[n+](C)c1SCCCC[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1.Cn1cc[n+](C)c1SCC[n+]1ccc(/C=C/c2ccccc2NCCO)cc1.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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium)?
The InChIKey is GODQSYHKVRCMPJ-UHFFFAOYSA-R. The full InChI is InChI=1S/2C44H64N6S2.C42H58N6S2.C42H56N4O2S2.C30H30N4S2.C29H34N5S.C26H36N4O2S.C22H27N4OS/c2*1-45(29-13-35-49(3,4)5)41-23-17-39(18-24-41)21-27-43-15-9-11-31-47(43)33-37-51-52-38-34-48-32-12-10-16-44(48)28-22-40-19-25-42(26-20-40)46(2)30-14-36-50(6,7)8;1-43(2)25-7-27-45(5)41-17-13-37(14-18-41)9-11-39-21-29-47(30-22-39)33-35-49-50-36-34-48-31-23-40(24-32-48)12-10-38-15-19-42(20-16-38)46(6)28-8-26-44(3)4;1-7-43(21-25-47)41-15-13-39(33(3)29-41)11-9-37-17-19-45(35(5)31-37)23-27-49-50-28-24-46-20-18-38(32-36(46)6)10-12-40-14-16-42(30-34(40)4)44(8-2)22-26-48;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;1-32-18-3-2-7-29(32)35-24-5-4-19-33-21-14-27(15-22-33)9-8-26-10-12-28(13-11-26)31-16-6-20-34-23-17-30-25-34;1-27-16-17-28(2)26(27)33-22-4-3-13-29-14-11-24(12-15-29)6-5-23-7-9-25(10-8-23)30(18-20-31)19-21-32;1-24-14-15-25(2)22(24)28-18-16-26-12-9-19(10-13-26)7-8-20-5-3-4-6-21(20)23-11-17-27/h2*9-12,15-28,31-32H,13-14,29-30,33-38H2,1-8H3;9-24,29-32H,7-8,25-28,33-36H2,1-6H3;9-20,29-32,47-48H,7-8,21-28H2,1-6H3;1-20,31-32H,21-24H2;2-3,7-15,17-18,21-23,25H,4-6,16,19-20,24H2,1H3;5-12,14-17,31-32H,3-4,13,18-22H2,1-2H3;3-10,12-15,27H,11,16-18H2,1-2H3/q2*+4;2*+2;;+1;+2;+1/p+4.
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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium)?
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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium) has a molecular weight of 4770.19 g/mol, XLogP of 46.78, 128 rotatable bonds, 9 hydrogen bond donors, and 37 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;N'-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[3-(dimethylamino)propyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine;2-[4-[(E)-2-[1-[4-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[2-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]anilino]ethanol;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]-2-methylpyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]-2-methylpyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;N-(3-imidazol-1-ylpropyl)-4-[(E)-2-[1-[4-(1-methylpyridin-1-ium-2-yl)sulfanylbutyl]pyridin-1-ium-4-yl]ethenyl]aniline;bis(trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[methyl-[3-(trimethylazaniumyl)propyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]anilino]propyl]azanium) is sourced from PubChem (CID 158314990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).