4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C278H322N26O6S14+14 — CID 161312499

IUPAC4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESC(=C/c1ccc2c3c(cccc13)CC2)\c1cc[n+](CCSSCC[n+]2ccc(/C=C/c3ccc4c5c(cccc35)CC4)cc2)cc1.CC1(C)CCN2CCC(C)(C)c3cc(/C=C/c4cc[n+](CCSSCC[n+]5ccc(/C=C/c6cc7c8c(c6)C(C)(C)CCN8CCC7(C)C)cc5)cc4)cc1c32.CCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CC)CCO)cc4C)cc3)cc2)c(C)c1.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.CN1CCc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6c(c5)CCN6C)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/C50H64N4S2.C42H38N2S2.C40H52N4O2S2.C38H44N4S2.C36H40N4O2S2.C36H44N4O2S2.C36H40N4S2/c1-47(2)17-25-53-26-18-48(3,4)42-34-39(33-41(47)45(42)53)11-9-37-13-21-51(22-14-37)29-31-55-56-32-30-52-23-15-38(16-24-52)10-12-40-35-43-46-44(36-40)50(7,8)20-28-54(46)27-19-49(43,5)6;1-3-35-15-17-37-13-11-33(39(5-1)41(35)37)9-7-31-19-23-43(24-20-31)27-29-45-46-30-28-44-25-21-32(22-26-44)8-10-34-12-14-38-18-16-36-4-2-6-40(34)42(36)38;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;1-39-19-3-5-35-29-33(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;1-37-17-15-33-27-31(7-9-35(33)37)5-3-29-11-19-39(20-12-29)23-25-41-42-26-24-40-21-13-30(14-22-40)4-6-32-8-10-36-34(28-32)16-18-38(36)2/h9-16,21-24,33-36H,17-20,25-32H2,1-8H3;1-14,19-26H,15-18,27-30H2;7-22,31-32,45-46H,5-6,23-30H2,1-4H3;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;3-14,19-22,27-28H,15-18,23-26H2,1-2H3/q7*+2/b;9-7+,10-8+;;;;;
InChIKeyVJBNMKDFAXVPIL-GSFVOBEWSA-N
MW4572.75 g/mol
LogP54.44
Rot. Bonds89

About 4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 161312499) has the molecular formula C278H322N26O6S14+14 and a molecular weight of 4572.75 g/mol. Its IUPAC name is 4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID161312499
Molecular FormulaC278H322N26O6S14+14
Molecular Weight4572.75 g/mol
Exact Mass4568.17
IUPAC Name4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESC(=C/c1ccc2c3c(cccc13)CC2)\c1cc[n+](CCSSCC[n+]2ccc(/C=C/c3ccc4c5c(cccc35)CC4)cc2)cc1.CC1(C)CCN2CCC(C)(C)c3cc(/C=C/c4cc[n+](CCSSCC[n+]5ccc(/C=C/c6cc7c8c(c6)C(C)(C)CCN8CCC7(C)C)cc5)cc4)cc1c32.CCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CC)CCO)cc4C)cc3)cc2)c(C)c1.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.CN1CCc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6c(c5)CCN6C)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/C50H64N4S2.C42H38N2S2.C40H52N4O2S2.C38H44N4S2.C36H40N4O2S2.C36H44N4O2S2.C36H40N4S2/c1-47(2)17-25-53-26-18-48(3,4)42-34-39(33-41(47)45(42)53)11-9-37-13-21-51(22-14-37)29-31-55-56-32-30-52-23-15-38(16-24-52)10-12-40-35-43-46-44(36-40)50(7,8)20-28-54(46)27-19-49(43,5)6;1-3-35-15-17-37-13-11-33(39(5-1)41(35)37)9-7-31-19-23-43(24-20-31)27-29-45-46-30-28-44-25-21-32(22-26-44)8-10-34-12-14-38-18-16-36-4-2-6-40(34)42(36)38;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;1-39-19-3-5-35-29-33(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;1-37-17-15-33-27-31(7-9-35(33)37)5-3-29-11-19-39(20-12-29)23-25-41-42-26-24-40-21-13-30(14-22-40)4-6-32-8-10-36-34(28-32)16-18-38(36)2/h9-16,21-24,33-36H,17-20,25-32H2,1-8H3;1-14,19-26H,15-18,27-30H2;7-22,31-32,45-46H,5-6,23-30H2,1-4H3;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;3-14,19-22,27-28H,15-18,23-26H2,1-2H3/q7*+2/b;9-7+,10-8+;;;;;
InChIKeyVJBNMKDFAXVPIL-GSFVOBEWSA-N
XLogP54.44
TPSA170.58 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds89
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004572.75
LogP ≤ 554.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene with MolForge

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What is the IUPAC name of 4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 161312499) is 4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is C(=C/c1ccc2c3c(cccc13)CC2)\c1cc[n+](CCSSCC[n+]2ccc(/C=C/c3ccc4c5c(cccc35)CC4)cc2)cc1.CC1(C)CCN2CCC(C)(C)c3cc(/C=C/c4cc[n+](CCSSCC[n+]5ccc(/C=C/c6cc7c8c(c6)C(C)(C)CCN8CCC7(C)C)cc5)cc4)cc1c32.CCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CC)CCO)cc4C)cc3)cc2)c(C)c1.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.CN1CCc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6c(c5)CCN6C)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-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is VJBNMKDFAXVPIL-GSFVOBEWSA-N. The full InChI is InChI=1S/C50H64N4S2.C42H38N2S2.C40H52N4O2S2.C38H44N4S2.C36H40N4O2S2.C36H44N4O2S2.C36H40N4S2/c1-47(2)17-25-53-26-18-48(3,4)42-34-39(33-41(47)45(42)53)11-9-37-13-21-51(22-14-37)29-31-55-56-32-30-52-23-15-38(16-24-52)10-12-40-35-43-46-44(36-40)50(7,8)20-28-54(46)27-19-49(43,5)6;1-3-35-15-17-37-13-11-33(39(5-1)41(35)37)9-7-31-19-23-43(24-20-31)27-29-45-46-30-28-44-25-21-32(22-26-44)8-10-34-12-14-38-18-16-36-4-2-6-40(34)42(36)38;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;1-39-19-3-5-35-29-33(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;1-37-17-15-33-27-31(7-9-35(33)37)5-3-29-11-19-39(20-12-29)23-25-41-42-26-24-40-21-13-30(14-22-40)4-6-32-8-10-36-34(28-32)16-18-38(36)2/h9-16,21-24,33-36H,17-20,25-32H2,1-8H3;1-14,19-26H,15-18,27-30H2;7-22,31-32,45-46H,5-6,23-30H2,1-4H3;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;3-14,19-22,27-28H,15-18,23-26H2,1-2H3/q7*+2/b;9-7+,10-8+;;;;;.
What are the key properties of 4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 4572.75 g/mol, XLogP of 54.44, 89 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(1,2-dihydroacenaphthylen-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;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;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-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-5-[(E)-2-[1-[2-[2-[4-[(E)-2-(1-methyl-2,3-dihydroindol-5-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-2,3-dihydroindole;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;4,4,10,10-tetramethyl-7-[(E)-2-[1-[2-[2-[4-[(E)-2-(4,4,10,10-tetramethyl-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-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 161312499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).