decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate

C326H394ClK10N23O29S7+8 — CID 157057534

IUPACdecapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate
SMILESCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)c2c1ccc1ccccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C2=[N+]2CCOCC2)C(C)(C)c2cc(C)ccc21.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+](C)C)N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+]1CCCC1)N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+]1CCCCC1)N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(CCCC(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+]1CCOCC1)N2CCCC(=O)[O-].Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCC(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)/C1=[N+]1\CCCC1C(=O)[O-])N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCC(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)/C1=[N+]1\CCc3ccccc31)N2C(C)C.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C44H51N3O3S.C42H44ClN2.C42H51N3O8S.C41H51N3O5S.C41H53N3O3S.C40H51N3O3S.C38H47N3O4S.C38H49N3O3S.10K/c1-28(2)46-38-20-14-30(5)26-35(38)43(6,7)40(46)22-17-32-15-16-33(42(32)45-25-24-31-12-10-11-13-37(31)45)18-23-41-44(8,9)36-27-34(51(48,49)50)19-21-39(36)47(41)29(3)4;1-7-44-34-24-20-28-14-9-11-18-32(28)38(34)41(3,4)36(44)26-22-30-16-13-17-31(40(30)43)23-27-37-42(5,6)39-33-19-12-10-15-29(33)21-25-35(39)45(37)8-2;1-28-10-16-34-32(26-28)41(2,3)36(44(34)20-6-8-38(46)47)18-13-29-11-12-30(40(29)43-22-24-53-25-23-43)14-19-37-42(4,5)33-27-31(54(50,51)52)15-17-35(33)45(37)21-7-9-39(48)49;1-25(2)43-33-18-12-27(5)23-31(33)40(6,7)36(43)20-15-28-13-14-29(38(28)42-22-10-11-35(42)39(45)46)16-21-37-41(8,9)32-24-30(50(47,48)49)17-19-34(32)44(37)26(3)4;1-27(2)43-35-19-13-29(5)25-33(35)40(6,7)37(43)21-16-30-14-15-31(39(30)42-23-11-10-12-24-42)17-22-38-41(8,9)34-26-32(48(45,46)47)18-20-36(34)44(38)28(3)4;1-26(2)42-34-18-12-28(5)24-32(34)39(6,7)36(42)20-15-29-13-14-30(38(29)41-22-10-11-23-41)16-21-37-40(8,9)33-25-31(47(44,45)46)17-19-35(33)43(37)27(3)4;1-8-40-32-16-10-26(3)24-30(32)37(4,5)34(40)18-13-27-11-12-28(36(27)39-20-22-45-23-21-39)14-19-35-38(6,7)31-25-29(46(42,43)44)15-17-33(31)41(35)9-2;1-24(2)40-32-18-12-26(5)22-30(32)37(6,7)34(40)20-15-27-13-14-28(36(27)39(10)11)16-21-35-38(8,9)31-23-29(45(42,43)44)17-19-33(31)41(35)25(3)4;;;;;;;;;;/h10-14,17-23,26-29H,15-16,24-25H2,1-9H3;9-12,14-15,18-27H,7-8,13,16-17H2,1-6H3;10,13-19,26-27H,6-9,11-12,20-25H2,1-5H3,(H2-,46,47,48,49,50,51,52);12,15-21,23-26,35H,10-11,13-14,22H2,1-9H3,(H-,45,46,47,48,49);13,16-22,25-28H,10-12,14-15,23-24H2,1-9H3;12,15-21,24-27H,10-11,13-14,22-23H2,1-9H3;10,13-19,24-25H,8-9,11-12,20-23H2,1-7H3;12,15-25H,13-14H2,1-11H3;;;;;;;;;;/q;+1;;;;;;;10*+1/p-3
InChIKeyAAXXRWGEVQLQIJ-UHFFFAOYSA-K
MW5749.77 g/mol
LogP32.21
Rot. Bonds47

About decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate

decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate (PubChem CID 157057534) has the molecular formula C326H394ClK10N23O29S7+8 and a molecular weight of 5749.77 g/mol. Its IUPAC name is decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate.

Molecular Properties

Compound Namedecapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate
PubChem CID157057534
Molecular FormulaC326H394ClK10N23O29S7+8
Molecular Weight5749.77 g/mol
Exact Mass5743.41
IUPAC Namedecapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate
SMILESCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)c2c1ccc1ccccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C2=[N+]2CCOCC2)C(C)(C)c2cc(C)ccc21.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+](C)C)N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+]1CCCC1)N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+]1CCCCC1)N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(CCCC(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+]1CCOCC1)N2CCCC(=O)[O-].Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCC(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)/C1=[N+]1\CCCC1C(=O)[O-])N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCC(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)/C1=[N+]1\CCc3ccccc31)N2C(C)C.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C44H51N3O3S.C42H44ClN2.C42H51N3O8S.C41H51N3O5S.C41H53N3O3S.C40H51N3O3S.C38H47N3O4S.C38H49N3O3S.10K/c1-28(2)46-38-20-14-30(5)26-35(38)43(6,7)40(46)22-17-32-15-16-33(42(32)45-25-24-31-12-10-11-13-37(31)45)18-23-41-44(8,9)36-27-34(51(48,49)50)19-21-39(36)47(41)29(3)4;1-7-44-34-24-20-28-14-9-11-18-32(28)38(34)41(3,4)36(44)26-22-30-16-13-17-31(40(30)43)23-27-37-42(5,6)39-33-19-12-10-15-29(33)21-25-35(39)45(37)8-2;1-28-10-16-34-32(26-28)41(2,3)36(44(34)20-6-8-38(46)47)18-13-29-11-12-30(40(29)43-22-24-53-25-23-43)14-19-37-42(4,5)33-27-31(54(50,51)52)15-17-35(33)45(37)21-7-9-39(48)49;1-25(2)43-33-18-12-27(5)23-31(33)40(6,7)36(43)20-15-28-13-14-29(38(28)42-22-10-11-35(42)39(45)46)16-21-37-41(8,9)32-24-30(50(47,48)49)17-19-34(32)44(37)26(3)4;1-27(2)43-35-19-13-29(5)25-33(35)40(6,7)37(43)21-16-30-14-15-31(39(30)42-23-11-10-12-24-42)17-22-38-41(8,9)34-26-32(48(45,46)47)18-20-36(34)44(38)28(3)4;1-26(2)42-34-18-12-28(5)24-32(34)39(6,7)36(42)20-15-29-13-14-30(38(29)41-22-10-11-23-41)16-21-37-40(8,9)33-25-31(47(44,45)46)17-19-35(33)43(37)27(3)4;1-8-40-32-16-10-26(3)24-30(32)37(4,5)34(40)18-13-27-11-12-28(36(27)39-20-22-45-23-21-39)14-19-35-38(6,7)31-25-29(46(42,43)44)15-17-33(31)41(35)9-2;1-24(2)40-32-18-12-26(5)22-30(32)37(6,7)34(40)20-15-27-13-14-28(36(27)39(10)11)16-21-35-38(8,9)31-23-29(45(42,43)44)17-19-33(31)41(35)25(3)4;;;;;;;;;;/h10-14,17-23,26-29H,15-16,24-25H2,1-9H3;9-12,14-15,18-27H,7-8,13,16-17H2,1-6H3;10,13-19,26-27H,6-9,11-12,20-25H2,1-5H3,(H2-,46,47,48,49,50,51,52);12,15-21,23-26,35H,10-11,13-14,22H2,1-9H3,(H-,45,46,47,48,49);13,16-22,25-28H,10-12,14-15,23-24H2,1-9H3;12,15-21,24-27H,10-11,13-14,22-23H2,1-9H3;10,13-19,24-25H,8-9,11-12,20-23H2,1-7H3;12,15-25H,13-14H2,1-11H3;;;;;;;;;;/q;+1;;;;;;;10*+1/p-3
InChIKeyAAXXRWGEVQLQIJ-UHFFFAOYSA-K
XLogP32.21
TPSA611.93 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds47
Heavy Atoms396
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005749.77
LogP ≤ 532.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate with MolForge

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Related Compounds

3-[2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoic acid
CID 173488105
4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
CID 59076947
4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1-dimethyl-3-pentylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid
CID 58332505
(2E)-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indole-7-sulfonic acid
CID 162785600
(2Z)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole
CID 15883935
(2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole
CID 23517426
oxan-2-yl 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-[4-(oxan-2-yloxy)-4-oxobutyl]benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butanoate
CID 54556532
(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonic acid
CID 157057537
2-[2-[3-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium
CID 123474529
CID 136611321
CID 136611321
(1E)-2-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[3-[2-(ethylamino)-2-oxoethyl]-1,1-dimethylbenzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]-N-methylsulfonylethanimidate
CID 59958380
3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propan-1-amine
CID 10394701

Frequently Asked Questions

What is the IUPAC name of decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate?
The IUPAC name of decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate (CID 157057534) is decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate.
What is the SMILES notation for decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate?
The canonical SMILES for decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate is CCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)c2c1ccc1ccccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C2=[N+]2CCOCC2)C(C)(C)c2cc(C)ccc21.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+](C)C)N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+]1CCCC1)N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+]1CCCCC1)N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(CCCC(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C1=[N+]1CCOCC1)N2CCCC(=O)[O-].Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCC(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)/C1=[N+]1\CCCC1C(=O)[O-])N2C(C)C.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCC(=C\C=C3\N(C(C)C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)/C1=[N+]1\CCc3ccccc31)N2C(C)C.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate?
The InChIKey is AAXXRWGEVQLQIJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C44H51N3O3S.C42H44ClN2.C42H51N3O8S.C41H51N3O5S.C41H53N3O3S.C40H51N3O3S.C38H47N3O4S.C38H49N3O3S.10K/c1-28(2)46-38-20-14-30(5)26-35(38)43(6,7)40(46)22-17-32-15-16-33(42(32)45-25-24-31-12-10-11-13-37(31)45)18-23-41-44(8,9)36-27-34(51(48,49)50)19-21-39(36)47(41)29(3)4;1-7-44-34-24-20-28-14-9-11-18-32(28)38(34)41(3,4)36(44)26-22-30-16-13-17-31(40(30)43)23-27-37-42(5,6)39-33-19-12-10-15-29(33)21-25-35(39)45(37)8-2;1-28-10-16-34-32(26-28)41(2,3)36(44(34)20-6-8-38(46)47)18-13-29-11-12-30(40(29)43-22-24-53-25-23-43)14-19-37-42(4,5)33-27-31(54(50,51)52)15-17-35(33)45(37)21-7-9-39(48)49;1-25(2)43-33-18-12-27(5)23-31(33)40(6,7)36(43)20-15-28-13-14-29(38(28)42-22-10-11-35(42)39(45)46)16-21-37-41(8,9)32-24-30(50(47,48)49)17-19-34(32)44(37)26(3)4;1-27(2)43-35-19-13-29(5)25-33(35)40(6,7)37(43)21-16-30-14-15-31(39(30)42-23-11-10-12-24-42)17-22-38-41(8,9)34-26-32(48(45,46)47)18-20-36(34)44(38)28(3)4;1-26(2)42-34-18-12-28(5)24-32(34)39(6,7)36(42)20-15-29-13-14-30(38(29)41-22-10-11-23-41)16-21-37-40(8,9)33-25-31(47(44,45)46)17-19-35(33)43(37)27(3)4;1-8-40-32-16-10-26(3)24-30(32)37(4,5)34(40)18-13-27-11-12-28(36(27)39-20-22-45-23-21-39)14-19-35-38(6,7)31-25-29(46(42,43)44)15-17-33(31)41(35)9-2;1-24(2)40-32-18-12-26(5)22-30(32)37(6,7)34(40)20-15-27-13-14-28(36(27)39(10)11)16-21-35-38(8,9)31-23-29(45(42,43)44)17-19-33(31)41(35)25(3)4;;;;;;;;;;/h10-14,17-23,26-29H,15-16,24-25H2,1-9H3;9-12,14-15,18-27H,7-8,13,16-17H2,1-6H3;10,13-19,26-27H,6-9,11-12,20-25H2,1-5H3,(H2-,46,47,48,49,50,51,52);12,15-21,23-26,35H,10-11,13-14,22H2,1-9H3,(H-,45,46,47,48,49);13,16-22,25-28H,10-12,14-15,23-24H2,1-9H3;12,15-21,24-27H,10-11,13-14,22-23H2,1-9H3;10,13-19,24-25H,8-9,11-12,20-23H2,1-7H3;12,15-25H,13-14H2,1-11H3;;;;;;;;;;/q;+1;;;;;;;10*+1/p-3.
What are the key properties of decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate?
decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate has a molecular weight of 5749.77 g/mol, XLogP of 32.21, 47 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for decapotassium;4-[2-[2-[(3E)-3-[(2E)-2-[1-(3-carboxylatopropyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butanoate;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E)-2-[2-(2,3-dihydroindol-1-ium-1-ylidene)-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-2-[(2E)-2-[2-dimethylazaniumylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-3,3-dimethyl-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-2-[(2E)-2-[2-piperidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]-1-propan-2-ylindole-5-sulfonate;(2E)-3,3-dimethyl-1-propan-2-yl-2-[(2E)-2-[2-pyrrolidin-1-ium-1-ylidene-3-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]ethylidene]indole-5-sulfonate;1-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propan-2-yl-5-sulfonatoindol-2-ylidene)ethylidene]-5-[2-(3,3,5-trimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopentylidene]pyrrolidin-1-ium-2-carboxylate;(2E)-1-ethyl-2-[(2E)-2-[3-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-morpholin-4-ium-4-ylidenecyclopentylidene]ethylidene]-3,3-dimethylindole-5-sulfonate is sourced from PubChem (CID 157057534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).