hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate

C267H307N16Na26O98S32+7 — CID 158970014

IUPAChexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate
SMILESCC(CC[N+]1=C(C=CC=C2N(CCC(C)S(=O)(=O)O)c3ccc4cc(SOO[O-])cc(S(=O)(=O)[O-])c4c3C2(C)C)C(C)(C)c2c1ccc1cc(S(=O)(=O)[O-])cc(SOO[O-])c21)S(=O)(=O)[O-].CC1(C)C(=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc4cc(S(=O)(=O)[O-])ccc4c3C2(C)C)N(CCCCS(=O)(=O)O)c2ccc3cc(SOO[O-])ccc3c21.CC1(C)C(=CC=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc3C2(C)C)N(CCCS(=O)(=O)O)c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc21.CC1(C)C(C=C/C=C2/N(CCCCS(=O)(=O)[O-])c3ccc4cc(S(=O)(=O)[O-])ccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c21.CC1(C)C(C=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCS(=O)(=O)O)c2ccc(C(=O)[O-])cc21.CC1(C)C(C=CC=C2N(CCCCS(=O)(=O)O)c3ccc4cc(SOO[O-])cc(S(=O)(=O)[O-])c4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3cc(S(=O)(=O)[O-])cc(SOO[O-])c3c21.CC1(C)CC(=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C=C(C=C2N(CCCCS(=O)(=O)O)c3ccc(SOO[O-])cc3C2(C)C)C1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C41H62N4O18S6.C40H52N2O12S4.2C39H44N2O18S6.C39H44N2O12S4.C39H44N2O9S3.C30H36N2O11S3.26Na/c1-40(2)34-30-32(42(18-6-24-64(46,47)48)19-7-25-65(49,50)51)14-16-36(34)44(22-10-28-68(58,59)60)38(40)12-5-13-39-41(3,4)35-31-33(15-17-37(35)45(39)23-11-29-69(61,62)63)43(20-8-26-66(52,53)54)21-9-27-67(55,56)57;1-38(2)26-28(12-11-13-36-39(3,4)33-25-31(58(50,51)52)15-17-35(33)41(36)18-7-9-20-56(44,45)46)22-29(27-38)23-37-40(5,6)32-24-30(55-54-53-43)14-16-34(32)42(37)19-8-10-21-57(47,48)49;1-22(62(44,45)46)14-16-40-28-13-11-25-19-27(64(50,51)52)21-30(61-59-57-43)34(25)36(28)38(3,4)32(40)8-7-9-33-39(5,6)37-29(41(33)17-15-23(2)63(47,48)49)12-10-24-18-26(60-58-56-42)20-31(35(24)37)65(53,54)55;1-38(2)32(40(16-5-7-18-62(44,45)46)28-15-13-25-21-27(64(50,51)52)23-30(61-59-57-43)34(25)36(28)38)10-9-11-33-39(3,4)37-29(41(33)17-6-8-19-63(47,48)49)14-12-24-20-26(60-58-56-42)22-31(35(24)37)65(53,54)55;1-38(2)34(40(20-5-7-22-55(43,44)45)32-18-12-26-24-28(54-53-52-42)14-16-30(26)36(32)38)10-9-11-35-39(3,4)37-31-17-15-29(57(49,50)51)25-27(31)13-19-33(37)41(35)21-6-8-23-56(46,47)48;1-38(2)34(40(22-7-9-24-51(42,43)44)32-20-16-27-12-5-6-13-30(27)36(32)38)14-11-15-35-39(3,4)37-31-19-18-29(53(48,49)50)26-28(31)17-21-33(37)41(35)23-8-10-25-52(45,46)47;1-29(2)22-18-20(28(33)34)10-12-24(22)31(14-6-16-44(35,36)37)26(29)8-5-9-27-30(3,4)23-19-21(46(41,42)43)11-13-25(23)32(27)15-7-17-45(38,39)40;;;;;;;;;;;;;;;;;;;;;;;;;;/h5,12-17,30-31H,6-11,18-29H2,1-4H3,(H5-,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);11-17,22-25H,7-10,18-21,26-27H2,1-6H3,(H3-,43,44,45,46,47,48,49,50,51,52);7-13,18-23H,14-17H2,1-6H3,(H5-,42,43,44,45,46,47,48,49,50,51,52,53,54,55);9-15,20-23H,5-8,16-19H2,1-4H3,(H5-,42,43,44,45,46,47,48,49,50,51,52,53,54,55);9-19,24-25H,5-8,20-23H2,1-4H3,(H3-,42,43,44,45,46,47,48,49,50,51);5-6,11-21,26H,7-10,22-25H2,1-4H3,(H2-,42,43,44,45,46,47,48,49,50);5,8-13,18-19H,6-7,14-17H2,1-4H3,(H3-,33,34,35,36,37,38,39,40,41,42,43);;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;26*+1/p-19
InChIKeyHPCOYWZAFLGYDS-UHFFFAOYSA-A
MW6932.29 g/mol
LogP-48.17
Rot. Bonds124

About hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate

hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate (PubChem CID 158970014) has the molecular formula C267H307N16Na26O98S32+7 and a molecular weight of 6932.29 g/mol. Its IUPAC name is hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate.

Molecular Properties

Compound Namehexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate
PubChem CID158970014
Molecular FormulaC267H307N16Na26O98S32+7
Molecular Weight6932.29 g/mol
Exact Mass6925.79
IUPAC Namehexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate
SMILESCC(CC[N+]1=C(C=CC=C2N(CCC(C)S(=O)(=O)O)c3ccc4cc(SOO[O-])cc(S(=O)(=O)[O-])c4c3C2(C)C)C(C)(C)c2c1ccc1cc(S(=O)(=O)[O-])cc(SOO[O-])c21)S(=O)(=O)[O-].CC1(C)C(=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc4cc(S(=O)(=O)[O-])ccc4c3C2(C)C)N(CCCCS(=O)(=O)O)c2ccc3cc(SOO[O-])ccc3c21.CC1(C)C(=CC=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc3C2(C)C)N(CCCS(=O)(=O)O)c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc21.CC1(C)C(C=C/C=C2/N(CCCCS(=O)(=O)[O-])c3ccc4cc(S(=O)(=O)[O-])ccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c21.CC1(C)C(C=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCS(=O)(=O)O)c2ccc(C(=O)[O-])cc21.CC1(C)C(C=CC=C2N(CCCCS(=O)(=O)O)c3ccc4cc(SOO[O-])cc(S(=O)(=O)[O-])c4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3cc(S(=O)(=O)[O-])cc(SOO[O-])c3c21.CC1(C)CC(=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C=C(C=C2N(CCCCS(=O)(=O)O)c3ccc(SOO[O-])cc3C2(C)C)C1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C41H62N4O18S6.C40H52N2O12S4.2C39H44N2O18S6.C39H44N2O12S4.C39H44N2O9S3.C30H36N2O11S3.26Na/c1-40(2)34-30-32(42(18-6-24-64(46,47)48)19-7-25-65(49,50)51)14-16-36(34)44(22-10-28-68(58,59)60)38(40)12-5-13-39-41(3,4)35-31-33(15-17-37(35)45(39)23-11-29-69(61,62)63)43(20-8-26-66(52,53)54)21-9-27-67(55,56)57;1-38(2)26-28(12-11-13-36-39(3,4)33-25-31(58(50,51)52)15-17-35(33)41(36)18-7-9-20-56(44,45)46)22-29(27-38)23-37-40(5,6)32-24-30(55-54-53-43)14-16-34(32)42(37)19-8-10-21-57(47,48)49;1-22(62(44,45)46)14-16-40-28-13-11-25-19-27(64(50,51)52)21-30(61-59-57-43)34(25)36(28)38(3,4)32(40)8-7-9-33-39(5,6)37-29(41(33)17-15-23(2)63(47,48)49)12-10-24-18-26(60-58-56-42)20-31(35(24)37)65(53,54)55;1-38(2)32(40(16-5-7-18-62(44,45)46)28-15-13-25-21-27(64(50,51)52)23-30(61-59-57-43)34(25)36(28)38)10-9-11-33-39(3,4)37-29(41(33)17-6-8-19-63(47,48)49)14-12-24-20-26(60-58-56-42)22-31(35(24)37)65(53,54)55;1-38(2)34(40(20-5-7-22-55(43,44)45)32-18-12-26-24-28(54-53-52-42)14-16-30(26)36(32)38)10-9-11-35-39(3,4)37-31-17-15-29(57(49,50)51)25-27(31)13-19-33(37)41(35)21-6-8-23-56(46,47)48;1-38(2)34(40(22-7-9-24-51(42,43)44)32-20-16-27-12-5-6-13-30(27)36(32)38)14-11-15-35-39(3,4)37-31-19-18-29(53(48,49)50)26-28(31)17-21-33(37)41(35)23-8-10-25-52(45,46)47;1-29(2)22-18-20(28(33)34)10-12-24(22)31(14-6-16-44(35,36)37)26(29)8-5-9-27-30(3,4)23-19-21(46(41,42)43)11-13-25(23)32(27)15-7-17-45(38,39)40;;;;;;;;;;;;;;;;;;;;;;;;;;/h5,12-17,30-31H,6-11,18-29H2,1-4H3,(H5-,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);11-17,22-25H,7-10,18-21,26-27H2,1-6H3,(H3-,43,44,45,46,47,48,49,50,51,52);7-13,18-23H,14-17H2,1-6H3,(H5-,42,43,44,45,46,47,48,49,50,51,52,53,54,55);9-15,20-23H,5-8,16-19H2,1-4H3,(H5-,42,43,44,45,46,47,48,49,50,51,52,53,54,55);9-19,24-25H,5-8,20-23H2,1-4H3,(H3-,42,43,44,45,46,47,48,49,50,51);5-6,11-21,26H,7-10,22-25H2,1-4H3,(H2-,42,43,44,45,46,47,48,49,50);5,8-13,18-19H,6-7,14-17H2,1-4H3,(H3-,33,34,35,36,37,38,39,40,41,42,43);;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;26*+1/p-19
InChIKeyHPCOYWZAFLGYDS-UHFFFAOYSA-A
XLogP-48.17
TPSA1806.87 Ų
H-Bond Donors7
H-Bond Acceptors106
Rotatable Bonds124
Heavy Atoms439
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006932.29
LogP ≤ 5-48.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 10106

Analyze hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

decasodium;(2E)-2-[2-[2-chloro-3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)-9-sulfonatobenzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethyl-9-oxidoperoxysulfanyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;(2E)-2-[2-[2-chloro-3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)-9-sulfonatobenzo[e]indol-3-ium-2-yl]ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethyl-9-oxidoperoxysulfanyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate
CID 161367916
4-[2-[3-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-yl]butane-1-sulfonate
CID 59086682
dodecasodium;(2E)-2-[2-[2-chloro-3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-9-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethyl-9-oxidoperoxysulfanyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[2-[2-chloro-3-[(2E)-2-[1,1,7-trimethyl-9-oxidoperoxysulfanyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-9-sulfonate;2-[2-[3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(2-sulfonatoethyl)benzo[e]indol-2-ylidene]ethylidene]-2-methylcyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(2-sulfonatoethyl)benzo[e]indol-3-ium-7-sulfonate
CID 157179808
docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane
CID 162234206
tripotassium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate
CID 59973264
tetrasodium;2-[2-[2-chloro-3-[(2E)-2-[1,1,7-trimethyl-9-oxidoperoxysulfanyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-9-sulfonate
CID 135972022
4-[2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
CID 161465398
dodecasodium;3-[5-[bis(3-oxidoperoxysulfanylpropyl)amino]-2-[2-[2-chloro-3-[2-[3-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;2-[2-[3-[2-[5-[bis(3-oxidoperoxysulfanylpropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-7-sulfonate;2-[2-[3-[2-[5-[bis(3-oxidoperoxysulfanylpropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-1,1-dimethyl-8-oxidoperoxysulfanylbenzo[e]indol-3-ium-6-sulfonate
CID 161410385
trisodium;2-[(E,3Z)-3-[3,3-dimethyl-5-(oxidooxymethyl)-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate
CID 59100596
CID 166600377
CID 166600377
4-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
CID 135673376
trisodium;(2E)-2-[(2E)-2-[2-(3-carboxyphenyl)-3-[(E)-2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indole-5-sulfonate
CID 59623605

Frequently Asked Questions

What is the IUPAC name of hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate?
The IUPAC name of hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate (CID 158970014) is hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate.
What is the SMILES notation for hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate?
The canonical SMILES for hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate is CC(CC[N+]1=C(C=CC=C2N(CCC(C)S(=O)(=O)O)c3ccc4cc(SOO[O-])cc(S(=O)(=O)[O-])c4c3C2(C)C)C(C)(C)c2c1ccc1cc(S(=O)(=O)[O-])cc(SOO[O-])c21)S(=O)(=O)[O-].CC1(C)C(=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc4cc(S(=O)(=O)[O-])ccc4c3C2(C)C)N(CCCCS(=O)(=O)O)c2ccc3cc(SOO[O-])ccc3c21.CC1(C)C(=CC=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc3C2(C)C)N(CCCS(=O)(=O)O)c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc21.CC1(C)C(C=C/C=C2/N(CCCCS(=O)(=O)[O-])c3ccc4cc(S(=O)(=O)[O-])ccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c21.CC1(C)C(C=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCS(=O)(=O)O)c2ccc(C(=O)[O-])cc21.CC1(C)C(C=CC=C2N(CCCCS(=O)(=O)O)c3ccc4cc(SOO[O-])cc(S(=O)(=O)[O-])c4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3cc(S(=O)(=O)[O-])cc(SOO[O-])c3c21.CC1(C)CC(=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C=C(C=C2N(CCCCS(=O)(=O)O)c3ccc(SOO[O-])cc3C2(C)C)C1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate?
The InChIKey is HPCOYWZAFLGYDS-UHFFFAOYSA-A. The full InChI is InChI=1S/C41H62N4O18S6.C40H52N2O12S4.2C39H44N2O18S6.C39H44N2O12S4.C39H44N2O9S3.C30H36N2O11S3.26Na/c1-40(2)34-30-32(42(18-6-24-64(46,47)48)19-7-25-65(49,50)51)14-16-36(34)44(22-10-28-68(58,59)60)38(40)12-5-13-39-41(3,4)35-31-33(15-17-37(35)45(39)23-11-29-69(61,62)63)43(20-8-26-66(52,53)54)21-9-27-67(55,56)57;1-38(2)26-28(12-11-13-36-39(3,4)33-25-31(58(50,51)52)15-17-35(33)41(36)18-7-9-20-56(44,45)46)22-29(27-38)23-37-40(5,6)32-24-30(55-54-53-43)14-16-34(32)42(37)19-8-10-21-57(47,48)49;1-22(62(44,45)46)14-16-40-28-13-11-25-19-27(64(50,51)52)21-30(61-59-57-43)34(25)36(28)38(3,4)32(40)8-7-9-33-39(5,6)37-29(41(33)17-15-23(2)63(47,48)49)12-10-24-18-26(60-58-56-42)20-31(35(24)37)65(53,54)55;1-38(2)32(40(16-5-7-18-62(44,45)46)28-15-13-25-21-27(64(50,51)52)23-30(61-59-57-43)34(25)36(28)38)10-9-11-33-39(3,4)37-29(41(33)17-6-8-19-63(47,48)49)14-12-24-20-26(60-58-56-42)22-31(35(24)37)65(53,54)55;1-38(2)34(40(20-5-7-22-55(43,44)45)32-18-12-26-24-28(54-53-52-42)14-16-30(26)36(32)38)10-9-11-35-39(3,4)37-31-17-15-29(57(49,50)51)25-27(31)13-19-33(37)41(35)21-6-8-23-56(46,47)48;1-38(2)34(40(22-7-9-24-51(42,43)44)32-20-16-27-12-5-6-13-30(27)36(32)38)14-11-15-35-39(3,4)37-31-19-18-29(53(48,49)50)26-28(31)17-21-33(37)41(35)23-8-10-25-52(45,46)47;1-29(2)22-18-20(28(33)34)10-12-24(22)31(14-6-16-44(35,36)37)26(29)8-5-9-27-30(3,4)23-19-21(46(41,42)43)11-13-25(23)32(27)15-7-17-45(38,39)40;;;;;;;;;;;;;;;;;;;;;;;;;;/h5,12-17,30-31H,6-11,18-29H2,1-4H3,(H5-,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);11-17,22-25H,7-10,18-21,26-27H2,1-6H3,(H3-,43,44,45,46,47,48,49,50,51,52);7-13,18-23H,14-17H2,1-6H3,(H5-,42,43,44,45,46,47,48,49,50,51,52,53,54,55);9-15,20-23H,5-8,16-19H2,1-4H3,(H5-,42,43,44,45,46,47,48,49,50,51,52,53,54,55);9-19,24-25H,5-8,20-23H2,1-4H3,(H3-,42,43,44,45,46,47,48,49,50,51);5-6,11-21,26H,7-10,22-25H2,1-4H3,(H2-,42,43,44,45,46,47,48,49,50);5,8-13,18-19H,6-7,14-17H2,1-4H3,(H3-,33,34,35,36,37,38,39,40,41,42,43);;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;26*+1/p-19.
What are the key properties of hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate?
hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate has a molecular weight of 6932.29 g/mol, XLogP of -48.17, 124 rotatable bonds, 7 hydrogen bond donors, and 106 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate is sourced from PubChem (CID 158970014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).