4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline

C180H206Cl4N26O2S12+10 — CID 160977495

IUPAC4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline
SMILESCN(CCSSCCN(C)c1ccc(/C=C/c2n(C)c(Cl)c(Cl)[n+]2C)cc1)c1ccc(/C=C/c2n(C)c(Cl)c(Cl)[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2n(C)cc[n+]2C)cc1)c1ccc(/C=C/c2n(C)cc[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2oc3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2oc3ccccc3[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1
InChIInChI=1S/C40H46N6S2.C38H40N4O2S2.C38H40N4S4.C32H38Cl4N6S2.C32H42N6S2/c1-41(33-21-15-31(16-22-33)19-25-39-43(3)35-11-7-8-12-36(35)44(39)4)27-29-47-48-30-28-42(2)34-23-17-32(18-24-34)20-26-40-45(5)37-13-9-10-14-38(37)46(40)6;1-39(31-19-13-29(14-20-31)17-23-37-41(3)33-9-5-7-11-35(33)43-37)25-27-45-46-28-26-40(2)32-21-15-30(16-22-32)18-24-38-42(4)34-10-6-8-12-36(34)44-38;1-39(31-19-13-29(14-20-31)17-23-37-41(3)33-9-5-7-11-35(33)45-37)25-27-43-44-28-26-40(2)32-21-15-30(16-22-32)18-24-38-42(4)34-10-6-8-12-36(34)46-38;1-37(25-13-7-23(8-14-25)11-17-27-39(3)29(33)30(34)40(27)4)19-21-43-44-22-20-38(2)26-15-9-24(10-16-26)12-18-28-41(5)31(35)32(36)42(28)6;1-33(29-13-7-27(8-14-29)11-17-31-35(3)19-20-36(31)4)23-25-39-40-26-24-34(2)30-15-9-28(10-16-30)12-18-32-37(5)21-22-38(32)6/h7-26H,27-30H2,1-6H3;2*5-24H,25-28H2,1-4H3;7-18H,19-22H2,1-6H3;7-22H,23-26H2,1-6H3/q5*+2
InChIKeySZBJIOIMMYRKNH-UHFFFAOYSA-N
MW3292.42 g/mol
LogP38.02
Rot. Bonds65

About 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline

4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline (PubChem CID 160977495) has the molecular formula C180H206Cl4N26O2S12+10 and a molecular weight of 3292.42 g/mol. Its IUPAC name is 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline
PubChem CID160977495
Molecular FormulaC180H206Cl4N26O2S12+10
Molecular Weight3292.42 g/mol
Exact Mass3287.22
IUPAC Name4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline
SMILESCN(CCSSCCN(C)c1ccc(/C=C/c2n(C)c(Cl)c(Cl)[n+]2C)cc1)c1ccc(/C=C/c2n(C)c(Cl)c(Cl)[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2n(C)cc[n+]2C)cc1)c1ccc(/C=C/c2n(C)cc[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2oc3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2oc3ccccc3[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1
InChIInChI=1S/C40H46N6S2.C38H40N4O2S2.C38H40N4S4.C32H38Cl4N6S2.C32H42N6S2/c1-41(33-21-15-31(16-22-33)19-25-39-43(3)35-11-7-8-12-36(35)44(39)4)27-29-47-48-30-28-42(2)34-23-17-32(18-24-34)20-26-40-45(5)37-13-9-10-14-38(37)46(40)6;1-39(31-19-13-29(14-20-31)17-23-37-41(3)33-9-5-7-11-35(33)43-37)25-27-45-46-28-26-40(2)32-21-15-30(16-22-32)18-24-38-42(4)34-10-6-8-12-36(34)44-38;1-39(31-19-13-29(14-20-31)17-23-37-41(3)33-9-5-7-11-35(33)45-37)25-27-43-44-28-26-40(2)32-21-15-30(16-22-32)18-24-38-42(4)34-10-6-8-12-36(34)46-38;1-37(25-13-7-23(8-14-25)11-17-27-39(3)29(33)30(34)40(27)4)19-21-43-44-22-20-38(2)26-15-9-24(10-16-26)12-18-28-41(5)31(35)32(36)42(28)6;1-33(29-13-7-27(8-14-29)11-17-31-35(3)19-20-36(31)4)23-25-39-40-26-24-34(2)30-15-9-28(10-16-30)12-18-32-37(5)21-22-38(32)6/h7-26H,27-30H2,1-6H3;2*5-24H,25-28H2,1-4H3;7-18H,19-22H2,1-6H3;7-22H,23-26H2,1-6H3/q5*+2
InChIKeySZBJIOIMMYRKNH-UHFFFAOYSA-N
XLogP38.02
TPSA127.06 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds65
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003292.42
LogP ≤ 538.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline?
The IUPAC name of 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline (CID 160977495) is 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline?
The canonical SMILES for 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline is CN(CCSSCCN(C)c1ccc(/C=C/c2n(C)c(Cl)c(Cl)[n+]2C)cc1)c1ccc(/C=C/c2n(C)c(Cl)c(Cl)[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2n(C)cc[n+]2C)cc1)c1ccc(/C=C/c2n(C)cc[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2oc3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2oc3ccccc3[n+]2C)cc1.CN(CCSSCCN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1.
What is the InChIKey of 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline?
The InChIKey is SZBJIOIMMYRKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N6S2.C38H40N4O2S2.C38H40N4S4.C32H38Cl4N6S2.C32H42N6S2/c1-41(33-21-15-31(16-22-33)19-25-39-43(3)35-11-7-8-12-36(35)44(39)4)27-29-47-48-30-28-42(2)34-23-17-32(18-24-34)20-26-40-45(5)37-13-9-10-14-38(37)46(40)6;1-39(31-19-13-29(14-20-31)17-23-37-41(3)33-9-5-7-11-35(33)43-37)25-27-45-46-28-26-40(2)32-21-15-30(16-22-32)18-24-38-42(4)34-10-6-8-12-36(34)44-38;1-39(31-19-13-29(14-20-31)17-23-37-41(3)33-9-5-7-11-35(33)45-37)25-27-43-44-28-26-40(2)32-21-15-30(16-22-32)18-24-38-42(4)34-10-6-8-12-36(34)46-38;1-37(25-13-7-23(8-14-25)11-17-27-39(3)29(33)30(34)40(27)4)19-21-43-44-22-20-38(2)26-15-9-24(10-16-26)12-18-28-41(5)31(35)32(36)42(28)6;1-33(29-13-7-27(8-14-29)11-17-31-35(3)19-20-36(31)4)23-25-39-40-26-24-34(2)30-15-9-28(10-16-30)12-18-32-37(5)21-22-38(32)6/h7-26H,27-30H2,1-6H3;2*5-24H,25-28H2,1-4H3;7-18H,19-22H2,1-6H3;7-22H,23-26H2,1-6H3/q5*+2.
What are the key properties of 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline?
4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline has a molecular weight of 3292.42 g/mol, XLogP of 38.02, 65 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(4,5-dichloro-1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1,3-dimethylimidazol-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline;N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-[2-[2-[N-methyl-4-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]aniline is sourced from PubChem (CID 160977495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).