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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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

C274H358N32O12S14+16 — CID 157412502

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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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
SMILESC/C(=C\c1ccc(N(C)CCO)cc1C)c1cccc[n+]1CCSSCC[n+]1ccccc1/C(C)=C/c1ccc(N(C)CCO)cc1C.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.Nc1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N)cc2)cc1.OCCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CCO)CCO)cc4)cc3)cc2)cc1.OCCN(CCO)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(CCO)CCO)cc2)cc1
InChIInChI=1S/C44H64N6S2.C42H58N6S2.C42H56N4O2S2.C40H52N4O2S2.2C38H48N4O4S2.C30H30N4S2/c1-45(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;1-31-29-37(41(5)19-23-45)15-13-35(31)27-33(3)39-11-7-9-17-43(39)21-25-47-48-26-22-44-18-10-8-12-40(44)34(4)28-36-14-16-38(30-32(36)2)42(6)20-24-46;43-27-21-41(22-28-44)37-9-5-33(6-10-37)1-3-35-13-17-39(18-14-35)25-31-47-48-32-26-40-19-15-36(16-20-40)4-2-34-7-11-38(12-8-34)42(23-29-45)24-30-46;43-27-21-41(22-28-44)37-15-9-33(10-16-37)7-13-35-5-1-3-19-39(35)25-31-47-48-32-26-40-20-4-2-6-36(40)14-8-34-11-17-38(18-12-34)42(23-29-45)24-30-46;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/h9-12,15-28,31-32H,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;7-18,27-30,45-46H,19-26H2,1-6H3;2*1-20,43-46H,21-32H2;1-20,31-32H,21-24H2/q+4;5*+2;/p+2
InChIKeyBOLIXAVPNCKEBZ-UHFFFAOYSA-P
MW4741.03 g/mol
LogP44.08
Rot. Bonds131

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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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 157412502) has the molecular formula C274H358N32O12S14+16 and a molecular weight of 4741.03 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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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 CID157412502
Molecular FormulaC274H358N32O12S14+16
Molecular Weight4741.03 g/mol
Exact Mass4736.44
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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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
SMILESC/C(=C\c1ccc(N(C)CCO)cc1C)c1cccc[n+]1CCSSCC[n+]1ccccc1/C(C)=C/c1ccc(N(C)CCO)cc1C.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.Nc1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N)cc2)cc1.OCCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CCO)CCO)cc4)cc3)cc2)cc1.OCCN(CCO)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(CCO)CCO)cc2)cc1
InChIInChI=1S/C44H64N6S2.C42H58N6S2.C42H56N4O2S2.C40H52N4O2S2.2C38H48N4O4S2.C30H30N4S2/c1-45(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;1-31-29-37(41(5)19-23-45)15-13-35(31)27-33(3)39-11-7-9-17-43(39)21-25-47-48-26-22-44-18-10-8-12-40(44)34(4)28-36-14-16-38(30-32(36)2)42(6)20-24-46;43-27-21-41(22-28-44)37-9-5-33(6-10-37)1-3-35-13-17-39(18-14-35)25-31-47-48-32-26-40-19-15-36(16-20-40)4-2-34-7-11-38(12-8-34)42(23-29-45)24-30-46;43-27-21-41(22-28-44)37-15-9-33(10-16-37)7-13-35-5-1-3-19-39(35)25-31-47-48-32-26-40-20-4-2-6-36(40)14-8-34-11-17-38(18-12-34)42(23-29-45)24-30-46;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/h9-12,15-28,31-32H,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;7-18,27-30,45-46H,19-26H2,1-6H3;2*1-20,43-46H,21-32H2;1-20,31-32H,21-24H2/q+4;5*+2;/p+2
InChIKeyBOLIXAVPNCKEBZ-UHFFFAOYSA-P
XLogP44.08
TPSA394.48 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds131
Heavy Atoms332
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004741.03
LogP ≤ 544.08
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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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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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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 157412502) 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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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 C/C(=C\c1ccc(N(C)CCO)cc1C)c1cccc[n+]1CCSSCC[n+]1ccccc1/C(C)=C/c1ccc(N(C)CCO)cc1C.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.Nc1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N)cc2)cc1.OCCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CCO)CCO)cc4)cc3)cc2)cc1.OCCN(CCO)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(CCO)CCO)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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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 BOLIXAVPNCKEBZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C44H64N6S2.C42H58N6S2.C42H56N4O2S2.C40H52N4O2S2.2C38H48N4O4S2.C30H30N4S2/c1-45(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;1-31-29-37(41(5)19-23-45)15-13-35(31)27-33(3)39-11-7-9-17-43(39)21-25-47-48-26-22-44-18-10-8-12-40(44)34(4)28-36-14-16-38(30-32(36)2)42(6)20-24-46;43-27-21-41(22-28-44)37-9-5-33(6-10-37)1-3-35-13-17-39(18-14-35)25-31-47-48-32-26-40-19-15-36(16-20-40)4-2-34-7-11-38(12-8-34)42(23-29-45)24-30-46;43-27-21-41(22-28-44)37-15-9-33(10-16-37)7-13-35-5-1-3-19-39(35)25-31-47-48-32-26-40-20-4-2-6-36(40)14-8-34-11-17-38(18-12-34)42(23-29-45)24-30-46;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/h9-12,15-28,31-32H,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;7-18,27-30,45-46H,19-26H2,1-6H3;2*1-20,43-46H,21-32H2;1-20,31-32H,21-24H2/q+4;5*+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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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 4741.03 g/mol, XLogP of 44.08, 131 rotatable bonds, 14 hydrogen bond donors, and 42 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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol;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-[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;2-[4-[(E)-2-[1-[2-[2-[2-[(E)-1-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]prop-1-enyl]-N,3-dimethylanilino]ethanol;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 157412502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).