4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium

C228H212N12O10S10+10 — CID 159026515

IUPAC4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium
SMILESCN(C)c1ccc2cc(/C=C/c3cccc[n+]3CCSSCC[n+]3ccccc3/C=C/c3ccc4cc(N(C)C)ccc4c3)ccc2c1.COc1cc2ccccc2c(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4c(OC)c(OC)cc5ccccc45)c4ccccc43)c3ccccc23)c1OC.COc1ccc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6cc(OC)ccc6c5)c5ccccc54)c4ccccc34)ccc2c1.COc1ccc2cc(/C=C/c3ccc4ccccc4[n+]3CCSSCC[n+]3c(/C=C/c4ccc5cc(OC)ccc5c4)ccc4ccccc43)ccc2c1.COc1ccc2cc(/C=C/c3cccc[n+]3CCSSCC[n+]3ccccc3/C=C/c3ccc4cc(OC)ccc4c3)ccc2c1
InChIInChI=1S/C50H46N2O4S2.2C48H42N2O2S2.C42H44N4S2.C40H38N2O2S2/c1-53-47-33-37-13-5-7-15-39(37)43(49(47)55-3)23-21-35-25-27-51(45-19-11-9-17-41(35)45)29-31-57-58-32-30-52-28-26-36(42-18-10-12-20-46(42)52)22-24-44-40-16-8-6-14-38(40)34-48(54-2)50(44)56-4;1-51-45-25-19-39-31-35(11-15-41(39)33-45)13-21-43-23-17-37-7-3-5-9-47(37)49(43)27-29-53-54-30-28-50-44(24-18-38-8-4-6-10-48(38)50)22-14-36-12-16-42-34-46(52-2)26-20-40(42)32-36;1-51-43-21-19-39-31-35(13-17-41(39)33-43)11-15-37-23-25-49(47-9-5-3-7-45(37)47)27-29-53-54-30-28-50-26-24-38(46-8-4-6-10-48(46)50)16-12-36-14-18-42-34-44(52-2)22-20-40(42)32-36;1-43(2)41-21-17-35-29-33(11-15-37(35)31-41)13-19-39-9-5-7-23-45(39)25-27-47-48-28-26-46-24-8-6-10-40(46)20-14-34-12-16-38-32-42(44(3)4)22-18-36(38)30-34;1-43-39-19-15-33-27-31(9-13-35(33)29-39)11-17-37-7-3-5-21-41(37)23-25-45-46-26-24-42-22-6-4-8-38(42)18-12-32-10-14-36-30-40(44-2)20-16-34(36)28-32/h5-28,33-34H,29-32H2,1-4H3;2*3-26,31-34H,27-30H2,1-2H3;5-24,29-32H,25-28H2,1-4H3;3-22,27-30H,23-26H2,1-2H3/q5*+2/b23-21+,24-22+;21-13+,22-14+;15-11+,16-12+;;17-11+,18-12+
InChIKeyJUIOJTIJVOSNOC-YADGPQGWSA-N
MW3600.95 g/mol
LogP52.09
Rot. Bonds67

About 4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium

4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium (PubChem CID 159026515) has the molecular formula C228H212N12O10S10+10 and a molecular weight of 3600.95 g/mol. Its IUPAC name is 4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium.

Molecular Properties

Compound Name4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium
PubChem CID159026515
Molecular FormulaC228H212N12O10S10+10
Molecular Weight3600.95 g/mol
Exact Mass3597.36
IUPAC Name4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium
SMILESCN(C)c1ccc2cc(/C=C/c3cccc[n+]3CCSSCC[n+]3ccccc3/C=C/c3ccc4cc(N(C)C)ccc4c3)ccc2c1.COc1cc2ccccc2c(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4c(OC)c(OC)cc5ccccc45)c4ccccc43)c3ccccc23)c1OC.COc1ccc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6cc(OC)ccc6c5)c5ccccc54)c4ccccc34)ccc2c1.COc1ccc2cc(/C=C/c3ccc4ccccc4[n+]3CCSSCC[n+]3c(/C=C/c4ccc5cc(OC)ccc5c4)ccc4ccccc43)ccc2c1.COc1ccc2cc(/C=C/c3cccc[n+]3CCSSCC[n+]3ccccc3/C=C/c3ccc4cc(OC)ccc4c3)ccc2c1
InChIInChI=1S/C50H46N2O4S2.2C48H42N2O2S2.C42H44N4S2.C40H38N2O2S2/c1-53-47-33-37-13-5-7-15-39(37)43(49(47)55-3)23-21-35-25-27-51(45-19-11-9-17-41(35)45)29-31-57-58-32-30-52-28-26-36(42-18-10-12-20-46(42)52)22-24-44-40-16-8-6-14-38(40)34-48(54-2)50(44)56-4;1-51-45-25-19-39-31-35(11-15-41(39)33-45)13-21-43-23-17-37-7-3-5-9-47(37)49(43)27-29-53-54-30-28-50-44(24-18-38-8-4-6-10-48(38)50)22-14-36-12-16-42-34-46(52-2)26-20-40(42)32-36;1-51-43-21-19-39-31-35(13-17-41(39)33-43)11-15-37-23-25-49(47-9-5-3-7-45(37)47)27-29-53-54-30-28-50-26-24-38(46-8-4-6-10-48(46)50)16-12-36-14-18-42-34-44(52-2)22-20-40(42)32-36;1-43(2)41-21-17-35-29-33(11-15-37(35)31-41)13-19-39-9-5-7-23-45(39)25-27-47-48-28-26-46-24-8-6-10-40(46)20-14-34-12-16-38-32-42(44(3)4)22-18-36(38)30-34;1-43-39-19-15-33-27-31(9-13-35(33)29-39)11-17-37-7-3-5-21-41(37)23-25-45-46-26-24-42-22-6-4-8-38(42)18-12-32-10-14-36-30-40(44-2)20-16-34(36)28-32/h5-28,33-34H,29-32H2,1-4H3;2*3-26,31-34H,27-30H2,1-2H3;5-24,29-32H,25-28H2,1-4H3;3-22,27-30H,23-26H2,1-2H3/q5*+2/b23-21+,24-22+;21-13+,22-14+;15-11+,16-12+;;17-11+,18-12+
InChIKeyJUIOJTIJVOSNOC-YADGPQGWSA-N
XLogP52.09
TPSA137.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds67
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003600.95
LogP ≤ 552.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'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-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium?
The IUPAC name of 4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium (CID 159026515) is 4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium.
What is the SMILES notation for 4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium?
The canonical SMILES for 4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium is CN(C)c1ccc2cc(/C=C/c3cccc[n+]3CCSSCC[n+]3ccccc3/C=C/c3ccc4cc(N(C)C)ccc4c3)ccc2c1.COc1cc2ccccc2c(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4c(OC)c(OC)cc5ccccc45)c4ccccc43)c3ccccc23)c1OC.COc1ccc2cc(/C=C/c3cc[n+](CCSSCC[n+]4ccc(/C=C/c5ccc6cc(OC)ccc6c5)c5ccccc54)c4ccccc34)ccc2c1.COc1ccc2cc(/C=C/c3ccc4ccccc4[n+]3CCSSCC[n+]3c(/C=C/c4ccc5cc(OC)ccc5c4)ccc4ccccc43)ccc2c1.COc1ccc2cc(/C=C/c3cccc[n+]3CCSSCC[n+]3ccccc3/C=C/c3ccc4cc(OC)ccc4c3)ccc2c1.
What is the InChIKey of 4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium?
The InChIKey is JUIOJTIJVOSNOC-YADGPQGWSA-N. The full InChI is InChI=1S/C50H46N2O4S2.2C48H42N2O2S2.C42H44N4S2.C40H38N2O2S2/c1-53-47-33-37-13-5-7-15-39(37)43(49(47)55-3)23-21-35-25-27-51(45-19-11-9-17-41(35)45)29-31-57-58-32-30-52-28-26-36(42-18-10-12-20-46(42)52)22-24-44-40-16-8-6-14-38(40)34-48(54-2)50(44)56-4;1-51-45-25-19-39-31-35(11-15-41(39)33-45)13-21-43-23-17-37-7-3-5-9-47(37)49(43)27-29-53-54-30-28-50-44(24-18-38-8-4-6-10-48(38)50)22-14-36-12-16-42-34-46(52-2)26-20-40(42)32-36;1-51-43-21-19-39-31-35(13-17-41(39)33-43)11-15-37-23-25-49(47-9-5-3-7-45(37)47)27-29-53-54-30-28-50-26-24-38(46-8-4-6-10-48(46)50)16-12-36-14-18-42-34-44(52-2)22-20-40(42)32-36;1-43(2)41-21-17-35-29-33(11-15-37(35)31-41)13-19-39-9-5-7-23-45(39)25-27-47-48-28-26-46-24-8-6-10-40(46)20-14-34-12-16-38-32-42(44(3)4)22-18-36(38)30-34;1-43-39-19-15-33-27-31(9-13-35(33)29-39)11-17-37-7-3-5-21-41(37)23-25-45-46-26-24-42-22-6-4-8-38(42)18-12-32-10-14-36-30-40(44-2)20-16-34(36)28-32/h5-28,33-34H,29-32H2,1-4H3;2*3-26,31-34H,27-30H2,1-2H3;5-24,29-32H,25-28H2,1-4H3;3-22,27-30H,23-26H2,1-2H3/q5*+2/b23-21+,24-22+;21-13+,22-14+;15-11+,16-12+;;17-11+,18-12+.
What are the key properties of 4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium?
4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium has a molecular weight of 3600.95 g/mol, XLogP of 52.09, 67 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;6-[(E)-2-[1-[2-[2-[2-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-2-amine;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium;2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[2-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium;4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-1-[2-[2-[4-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium is sourced from PubChem (CID 159026515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).