4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline

C312H378N34O8S16+16 — CID 157158884

IUPAC4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline
SMILESCCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CC)CCO)cc4C)cc3)cc2)c(C)c1.CC[n+]1ccc(/C=C/c2ccc(N(C)CCCCSSCCCCN(C)c3ccc(/C=C/c4cc[n+](CC)cc4)cc3)cc2)cc1.CN(C)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)CCCSSCCCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1.CN1CCCc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6c(c5)CCCN6C)cc4)cc3)ccc21.CN1CCOc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6c(c5)OCCN6C)cc4)cc3)ccc21.COc1cc(N(C)C)ccc1/C=C/c1cc[n+](CCSSCC[n+]2ccc(/C=C/c3ccc(N(C)C)cc3OC)cc2)cc1
InChIInChI=1S/C46H62N6O2S2.C42H44N4S2.C40H52N4O2S2.C40H52N4S2.C38H44N4S2.C36H40N4O2S2.C36H44N4O2S2.C34H40N4S2/c1-47-33-25-41(26-34-47)15-13-39-17-21-43(22-18-39)49(3)29-9-31-51(5)45(53)11-7-37-55-56-38-8-12-46(54)52(6)32-10-30-50(4)44-23-19-40(20-24-44)14-16-42-27-35-48(2)36-28-42;1-43(37-21-15-33(16-22-37)13-19-35-25-27-45(3)41-11-7-5-9-39(35)41)29-31-47-48-32-30-44(2)38-23-17-34(18-24-38)14-20-36-26-28-46(4)42-12-8-6-10-40(36)42;1-5-43(23-27-45)39-13-11-37(33(3)31-39)9-7-35-15-19-41(20-16-35)25-29-47-48-30-26-42-21-17-36(18-22-42)8-10-38-12-14-40(32-34(38)4)44(6-2)24-28-46;1-5-43-29-23-37(24-30-43)13-11-35-15-19-39(20-16-35)41(3)27-7-9-33-45-46-34-10-8-28-42(4)40-21-17-36(18-22-40)12-14-38-25-31-44(6-2)32-26-38;1-39-19-3-5-35-29-33(11-13-37(35)39)9-7-31-15-21-41(22-16-31)25-27-43-44-28-26-42-23-17-32(18-24-42)8-10-34-12-14-38-36(30-34)6-4-20-40(38)2;1-37-19-23-41-35-27-31(7-9-33(35)37)5-3-29-11-15-39(16-12-29)21-25-43-44-26-22-40-17-13-30(14-18-40)4-6-32-8-10-34-36(28-32)42-24-20-38(34)2;1-37(2)33-13-11-31(35(27-33)41-5)9-7-29-15-19-39(20-16-29)23-25-43-44-26-24-40-21-17-30(18-22-40)8-10-32-12-14-34(38(3)4)28-36(32)42-6;1-35(2)33-13-9-29(10-14-33)5-7-31-17-21-37(22-18-31)25-27-39-40-28-26-38-23-19-32(20-24-38)8-6-30-11-15-34(16-12-30)36(3)4/h13-28,33-36H,7-12,29-32,37-38H2,1-6H3;5-28H,29-32H2,1-4H3;7-22,31-32,45-46H,5-6,23-30H2,1-4H3;11-26,29-32H,5-10,27-28,33-34H2,1-4H3;7-18,21-24,29-30H,3-6,19-20,25-28H2,1-2H3;3-18,27-28H,19-26H2,1-2H3;7-22,27-28H,23-26H2,1-6H3;5-24H,25-28H2,1-4H3/q8*+2
InChIKeyAMDFJERZIFOLGQ-UHFFFAOYSA-N
MW5245.76 g/mol
LogP60.36
Rot. Bonds124

About 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline

4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline (PubChem CID 157158884) has the molecular formula C312H378N34O8S16+16 and a molecular weight of 5245.76 g/mol. Its IUPAC name is 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline
PubChem CID157158884
Molecular FormulaC312H378N34O8S16+16
Molecular Weight5245.76 g/mol
Exact Mass5240.57
IUPAC Name4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline
SMILESCCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CC)CCO)cc4C)cc3)cc2)c(C)c1.CC[n+]1ccc(/C=C/c2ccc(N(C)CCCCSSCCCCN(C)c3ccc(/C=C/c4cc[n+](CC)cc4)cc3)cc2)cc1.CN(C)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)CCCSSCCCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1.CN1CCCc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6c(c5)CCCN6C)cc4)cc3)ccc21.CN1CCOc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6c(c5)OCCN6C)cc4)cc3)ccc21.COc1cc(N(C)C)ccc1/C=C/c1cc[n+](CCSSCC[n+]2ccc(/C=C/c3ccc(N(C)C)cc3OC)cc2)cc1
InChIInChI=1S/C46H62N6O2S2.C42H44N4S2.C40H52N4O2S2.C40H52N4S2.C38H44N4S2.C36H40N4O2S2.C36H44N4O2S2.C34H40N4S2/c1-47-33-25-41(26-34-47)15-13-39-17-21-43(22-18-39)49(3)29-9-31-51(5)45(53)11-7-37-55-56-38-8-12-46(54)52(6)32-10-30-50(4)44-23-19-40(20-24-44)14-16-42-27-35-48(2)36-28-42;1-43(37-21-15-33(16-22-37)13-19-35-25-27-45(3)41-11-7-5-9-39(35)41)29-31-47-48-32-30-44(2)38-23-17-34(18-24-38)14-20-36-26-28-46(4)42-12-8-6-10-40(36)42;1-5-43(23-27-45)39-13-11-37(33(3)31-39)9-7-35-15-19-41(20-16-35)25-29-47-48-30-26-42-21-17-36(18-22-42)8-10-38-12-14-40(32-34(38)4)44(6-2)24-28-46;1-5-43-29-23-37(24-30-43)13-11-35-15-19-39(20-16-35)41(3)27-7-9-33-45-46-34-10-8-28-42(4)40-21-17-36(18-22-40)12-14-38-25-31-44(6-2)32-26-38;1-39-19-3-5-35-29-33(11-13-37(35)39)9-7-31-15-21-41(22-16-31)25-27-43-44-28-26-42-23-17-32(18-24-42)8-10-34-12-14-38-36(30-34)6-4-20-40(38)2;1-37-19-23-41-35-27-31(7-9-33(35)37)5-3-29-11-15-39(16-12-29)21-25-43-44-26-22-40-17-13-30(14-18-40)4-6-32-8-10-34-36(28-32)42-24-20-38(34)2;1-37(2)33-13-11-31(35(27-33)41-5)9-7-29-15-19-39(20-16-29)23-25-43-44-26-24-40-21-17-30(18-22-40)8-10-32-12-14-34(38(3)4)28-36(32)42-6;1-35(2)33-13-9-29(10-14-33)5-7-31-17-21-37(22-18-31)25-27-39-40-28-26-38-23-19-32(20-24-38)8-6-30-11-15-34(16-12-30)36(3)4/h13-28,33-36H,7-12,29-32,37-38H2,1-6H3;5-28H,29-32H2,1-4H3;7-22,31-32,45-46H,5-6,23-30H2,1-4H3;11-26,29-32H,5-10,27-28,33-34H2,1-4H3;7-18,21-24,29-30H,3-6,19-20,25-28H2,1-2H3;3-18,27-28H,19-26H2,1-2H3;7-22,27-28H,23-26H2,1-6H3;5-24H,25-28H2,1-4H3/q8*+2
InChIKeyAMDFJERZIFOLGQ-UHFFFAOYSA-N
XLogP60.36
TPSA231.92 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds124
Heavy Atoms370
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005245.76
LogP ≤ 560.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Analyze 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline (CID 157158884) is 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline is CCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CC)CCO)cc4C)cc3)cc2)c(C)c1.CC[n+]1ccc(/C=C/c2ccc(N(C)CCCCSSCCCCN(C)c3ccc(/C=C/c4cc[n+](CC)cc4)cc3)cc2)cc1.CN(C)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)CCCSSCCCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1.CN1CCCc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6c(c5)CCCN6C)cc4)cc3)ccc21.CN1CCOc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6c(c5)OCCN6C)cc4)cc3)ccc21.COc1cc(N(C)C)ccc1/C=C/c1cc[n+](CCSSCC[n+]2ccc(/C=C/c3ccc(N(C)C)cc3OC)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline?
The InChIKey is AMDFJERZIFOLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H62N6O2S2.C42H44N4S2.C40H52N4O2S2.C40H52N4S2.C38H44N4S2.C36H40N4O2S2.C36H44N4O2S2.C34H40N4S2/c1-47-33-25-41(26-34-47)15-13-39-17-21-43(22-18-39)49(3)29-9-31-51(5)45(53)11-7-37-55-56-38-8-12-46(54)52(6)32-10-30-50(4)44-23-19-40(20-24-44)14-16-42-27-35-48(2)36-28-42;1-43(37-21-15-33(16-22-37)13-19-35-25-27-45(3)41-11-7-5-9-39(35)41)29-31-47-48-32-30-44(2)38-23-17-34(18-24-38)14-20-36-26-28-46(4)42-12-8-6-10-40(36)42;1-5-43(23-27-45)39-13-11-37(33(3)31-39)9-7-35-15-19-41(20-16-35)25-29-47-48-30-26-42-21-17-36(18-22-42)8-10-38-12-14-40(32-34(38)4)44(6-2)24-28-46;1-5-43-29-23-37(24-30-43)13-11-35-15-19-39(20-16-35)41(3)27-7-9-33-45-46-34-10-8-28-42(4)40-21-17-36(18-22-40)12-14-38-25-31-44(6-2)32-26-38;1-39-19-3-5-35-29-33(11-13-37(35)39)9-7-31-15-21-41(22-16-31)25-27-43-44-28-26-42-23-17-32(18-24-42)8-10-34-12-14-38-36(30-34)6-4-20-40(38)2;1-37-19-23-41-35-27-31(7-9-33(35)37)5-3-29-11-15-39(16-12-29)21-25-43-44-26-22-40-17-13-30(14-18-40)4-6-32-8-10-34-36(28-32)42-24-20-38(34)2;1-37(2)33-13-11-31(35(27-33)41-5)9-7-29-15-19-39(20-16-29)23-25-43-44-26-24-40-21-17-30(18-22-40)8-10-32-12-14-34(38(3)4)28-36(32)42-6;1-35(2)33-13-9-29(10-14-33)5-7-31-17-21-37(22-18-31)25-27-39-40-28-26-38-23-19-32(20-24-38)8-6-30-11-15-34(16-12-30)36(3)4/h13-28,33-36H,7-12,29-32,37-38H2,1-6H3;5-28H,29-32H2,1-4H3;7-22,31-32,45-46H,5-6,23-30H2,1-4H3;11-26,29-32H,5-10,27-28,33-34H2,1-4H3;7-18,21-24,29-30H,3-6,19-20,25-28H2,1-2H3;3-18,27-28H,19-26H2,1-2H3;7-22,27-28H,23-26H2,1-6H3;5-24H,25-28H2,1-4H3/q8*+2.
What are the key properties of 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline?
4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline has a molecular weight of 5245.76 g/mol, XLogP of 60.36, 124 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methoxy-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;2-[N-ethyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3-methylanilino]ethanol;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline;4-methyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydro-1,4-benzoxazine;1-methyl-6-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline is sourced from PubChem (CID 157158884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).