CID 157922267

C394H406BBrCl5F16IN19NaO18PS7Sb — CID 157922267

IUPACsodium;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-phenylcyclopent-2-en-1-ylidene]ethylidene]benzo[cd]indole;(2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-phenylsulfanylcyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2E)-2-[(E,4E)-4-[2-chloro-3-[(1E,3E)-4-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)buta-1,3-dienyl]cyclohex-2-en-1-ylidene]but-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(3-methylbutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-3-(3-methylbutyl)benzo[e]indole;N-[(5E)-2-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;(2Z)-3-ethyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]benzo[g][1,3]benzothiazole;(2Z)-3-ethyl-2-[(E)-3-(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]benzo[g][1,3]benzothiazole;pentafluoro-lambda5-stibane;trifluoroborane;(2E)-1,1,3-trimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole;bromide;difluoride;hexafluorophosphate;iodide;triperchlorate
SMILESB(F)(F)F.CCCCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\4/CCC(=C4SC5=CC=CC=C5)/C=C/C6=[N+](C7=C(C6(C)C)C8=CC=CC=C8C=C7)CCCC)(C)C.CCCCN\1C2=CC=CC3=C2C(=CC=C3)/C1=C\C=C\4/CCC(=C4C5=CC=CC=C5)/C=C/C6=[N+](C7=CC=CC8=C7C6=CC=C8)CCCC.CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\4/CCC(=C4N(C5=CC=CC=C5)C6=CC=CC=C6)/C=C/C7=[N+](C8=C(C7(C)C)C9=CC=CC=C9C=C8)CC)(C)C.CCN\1C2=C(C3=CC=CC=C3C=C2)S/C1=C\C4=C/C(=C/C=C/C5=C/C(=C/C6=[N+](C7=C(S6)C8=CC=CC=C8C=C7)CC)/CC(C5)(C)C)/CC(C4)(C)C.CCN\1C2=C(C3=CC=CC=C3C=C2)S/C1=C\C(=C\C4=[N+](C5=C(S4)C6=CC=CC=C6C=C5)CC)\C.CC(C)CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\C=C\C4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)CCC(C)C)(C)C.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C/4\C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C4=C(/C(=C/C=C/C=C/5\C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C4=C(/C(=C/C=C/5\C(C6=C(N5CCCCS(=O)(=O)[O-])C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[F-].[F-].F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.[Na+].[Br-].[I-]
InChIInChI=1S/C53H52N3.C51H55N2S.C47H49N2S2.C46H51ClN2O6S2.C45H43N2.C44H44ClN2.C43H51N2.C35H35N2.C30H27N2S2.BF3.BrH.3ClHO4.F6P.7FH.HI.Na.Sb/c1-7-54-45-33-29-37-19-15-17-25-43(37)49(45)52(3,4)47(54)35-31-39-27-28-40(51(39)56(41-21-11-9-12-22-41)42-23-13-10-14-24-42)32-36-48-53(5,6)50-44-26-18-16-20-38(44)30-34-46(50)55(48)8-2;1-7-9-34-52-43-30-26-36-18-14-16-22-41(36)47(43)50(3,4)45(52)32-28-38-24-25-39(49(38)54-40-20-12-11-13-21-40)29-33-46-51(5,6)48-42-23-17-15-19-37(42)27-31-44(48)53(46)35-10-8-2;1-7-48-40-22-20-36-16-9-11-18-38(36)44(40)50-42(48)26-34-24-32(28-46(3,4)30-34)14-13-15-33-25-35(31-47(5,6)29-33)27-43-49(8-2)41-23-21-37-17-10-12-19-39(37)45(41)51-43;1-45(2)40(48(28-9-11-30-56(50,51)52)38-24-20-32-14-5-7-18-36(32)42(38)45)26-22-34-16-13-17-35(44(34)47)23-27-41-46(3,4)43-37-19-8-6-15-33(37)21-25-39(43)49(41)29-10-12-31-57(53,54)55;1-3-5-30-46-39(37-20-10-16-33-18-12-22-41(46)44(33)37)28-26-35-24-25-36(43(35)32-14-8-7-9-15-32)27-29-40-38-21-11-17-34-19-13-23-42(45(34)38)47(40)31-6-4-2;1-43(2)38(46(5)36-28-26-30-16-7-11-22-34(30)40(36)43)24-13-9-18-32-20-15-21-33(42(32)45)19-10-14-25-39-44(3,4)41-35-23-12-8-17-31(35)27-29-37(41)47(39)6;1-30(2)26-28-44-36-24-22-32-16-12-14-18-34(32)40(36)42(5,6)38(44)20-10-9-11-21-39-43(7,8)41-35-19-15-13-17-33(35)23-25-37(41)45(39)29-27-31(3)4;1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6;1-4-31-25-16-14-21-10-6-8-12-23(21)29(25)33-27(31)18-20(3)19-28-32(5-2)26-17-15-22-11-7-9-13-24(22)30(26)34-28;2-1(3)4;;3*2-1(3,4)5;1-7(2,3,4,5)6;;;;;;;;;;/h9-26,29-36H,7-8,27-28H2,1-6H3;11-23,26-33H,7-10,24-25,34-35H2,1-6H3;9-27H,7-8,28-31H2,1-6H3;5-8,14-15,18-27H,9-13,16-17,28-31H2,1-4H3,(H-,50,51,52,53,54,55);7-23,26-29H,3-6,24-25,30-31H2,1-2H3;7-14,16-19,22-29H,15,20-21H2,1-6H3;9-25,30-31H,26-29H2,1-8H3;7-23H,1-6H3;6-19H,4-5H2,1-3H3;;1H;3*(H,2,3,4,5);;8*1H;;/q3*+1;;5*+1;;;;;;-1;;;;;;;;;+1;+5/p-13
InChIKeyJINQJOVBBQJETI-UHFFFAOYSA-A
MW6795.00 g/mol
LogP—
Rot. Bonds68

About CID 157922267

CID 157922267 (PubChem CID 157922267) has the molecular formula C394H406BBrCl5F16IN19NaO18PS7Sb and a molecular weight of 6795.00 g/mol. Its IUPAC name is sodium;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-phenylcyclopent-2-en-1-ylidene]ethylidene]benzo[cd]indole;(2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-phenylsulfanylcyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2E)-2-[(E,4E)-4-[2-chloro-3-[(1E,3E)-4-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)buta-1,3-dienyl]cyclohex-2-en-1-ylidene]but-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(3-methylbutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-3-(3-methylbutyl)benzo[e]indole;N-[(5E)-2-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;(2Z)-3-ethyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]benzo[g][1,3]benzothiazole;(2Z)-3-ethyl-2-[(E)-3-(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]benzo[g][1,3]benzothiazole;pentafluoro-lambda5-stibane;trifluoroborane;(2E)-1,1,3-trimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole;bromide;difluoride;hexafluorophosphate;iodide;triperchlorate.

Molecular Properties

Compound NameCID 157922267
PubChem CID157922267
Molecular FormulaC394H406BBrCl5F16IN19NaO18PS7Sb
Molecular Weight6795.00 g/mol
Exact Mass6791.48
IUPAC Namesodium;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-phenylcyclopent-2-en-1-ylidene]ethylidene]benzo[cd]indole;(2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-phenylsulfanylcyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2E)-2-[(E,4E)-4-[2-chloro-3-[(1E,3E)-4-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)buta-1,3-dienyl]cyclohex-2-en-1-ylidene]but-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(3-methylbutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-3-(3-methylbutyl)benzo[e]indole;N-[(5E)-2-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;(2Z)-3-ethyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]benzo[g][1,3]benzothiazole;(2Z)-3-ethyl-2-[(E)-3-(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]benzo[g][1,3]benzothiazole;pentafluoro-lambda5-stibane;trifluoroborane;(2E)-1,1,3-trimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole;bromide;difluoride;hexafluorophosphate;iodide;triperchlorate
SMILESB(F)(F)F.CCCCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\4/CCC(=C4SC5=CC=CC=C5)/C=C/C6=[N+](C7=C(C6(C)C)C8=CC=CC=C8C=C7)CCCC)(C)C.CCCCN\1C2=CC=CC3=C2C(=CC=C3)/C1=C\C=C\4/CCC(=C4C5=CC=CC=C5)/C=C/C6=[N+](C7=CC=CC8=C7C6=CC=C8)CCCC.CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\4/CCC(=C4N(C5=CC=CC=C5)C6=CC=CC=C6)/C=C/C7=[N+](C8=C(C7(C)C)C9=CC=CC=C9C=C8)CC)(C)C.CCN\1C2=C(C3=CC=CC=C3C=C2)S/C1=C\C4=C/C(=C/C=C/C5=C/C(=C/C6=[N+](C7=C(S6)C8=CC=CC=C8C=C7)CC)/CC(C5)(C)C)/CC(C4)(C)C.CCN\1C2=C(C3=CC=CC=C3C=C2)S/C1=C\C(=C\C4=[N+](C5=C(S4)C6=CC=CC=C6C=C5)CC)\C.CC(C)CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\C=C\C4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)CCC(C)C)(C)C.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C/4\C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C4=C(/C(=C/C=C/C=C/5\C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C4=C(/C(=C/C=C/5\C(C6=C(N5CCCCS(=O)(=O)[O-])C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[F-].[F-].F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.[Na+].[Br-].[I-]
InChIInChI=1S/C53H52N3.C51H55N2S.C47H49N2S2.C46H51ClN2O6S2.C45H43N2.C44H44ClN2.C43H51N2.C35H35N2.C30H27N2S2.BF3.BrH.3ClHO4.F6P.7FH.HI.Na.Sb/c1-7-54-45-33-29-37-19-15-17-25-43(37)49(45)52(3,4)47(54)35-31-39-27-28-40(51(39)56(41-21-11-9-12-22-41)42-23-13-10-14-24-42)32-36-48-53(5,6)50-44-26-18-16-20-38(44)30-34-46(50)55(48)8-2;1-7-9-34-52-43-30-26-36-18-14-16-22-41(36)47(43)50(3,4)45(52)32-28-38-24-25-39(49(38)54-40-20-12-11-13-21-40)29-33-46-51(5,6)48-42-23-17-15-19-37(42)27-31-44(48)53(46)35-10-8-2;1-7-48-40-22-20-36-16-9-11-18-38(36)44(40)50-42(48)26-34-24-32(28-46(3,4)30-34)14-13-15-33-25-35(31-47(5,6)29-33)27-43-49(8-2)41-23-21-37-17-10-12-19-39(37)45(41)51-43;1-45(2)40(48(28-9-11-30-56(50,51)52)38-24-20-32-14-5-7-18-36(32)42(38)45)26-22-34-16-13-17-35(44(34)47)23-27-41-46(3,4)43-37-19-8-6-15-33(37)21-25-39(43)49(41)29-10-12-31-57(53,54)55;1-3-5-30-46-39(37-20-10-16-33-18-12-22-41(46)44(33)37)28-26-35-24-25-36(43(35)32-14-8-7-9-15-32)27-29-40-38-21-11-17-34-19-13-23-42(45(34)38)47(40)31-6-4-2;1-43(2)38(46(5)36-28-26-30-16-7-11-22-34(30)40(36)43)24-13-9-18-32-20-15-21-33(42(32)45)19-10-14-25-39-44(3,4)41-35-23-12-8-17-31(35)27-29-37(41)47(39)6;1-30(2)26-28-44-36-24-22-32-16-12-14-18-34(32)40(36)42(5,6)38(44)20-10-9-11-21-39-43(7,8)41-35-19-15-13-17-33(35)23-25-37(41)45(39)29-27-31(3)4;1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6;1-4-31-25-16-14-21-10-6-8-12-23(21)29(25)33-27(31)18-20(3)19-28-32(5-2)26-17-15-22-11-7-9-13-24(22)30(26)34-28;2-1(3)4;;3*2-1(3,4)5;1-7(2,3,4,5)6;;;;;;;;;;/h9-26,29-36H,7-8,27-28H2,1-6H3;11-23,26-33H,7-10,24-25,34-35H2,1-6H3;9-27H,7-8,28-31H2,1-6H3;5-8,14-15,18-27H,9-13,16-17,28-31H2,1-4H3,(H-,50,51,52,53,54,55);7-23,26-29H,3-6,24-25,30-31H2,1-2H3;7-14,16-19,22-29H,15,20-21H2,1-6H3;9-25,30-31H,26-29H2,1-8H3;7-23H,1-6H3;6-19H,4-5H2,1-3H3;;1H;3*(H,2,3,4,5);;8*1H;;/q3*+1;;5*+1;;;;;;-1;;;;;;;;;+1;+5/p-13
InChIKeyJINQJOVBBQJETI-UHFFFAOYSA-A
XLogP—
TPSA548.00 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds68
Heavy Atoms465
Complexity11500

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006795.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

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Related Compounds

(2E)-2-[(E)-3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzo[g][1,3]benzothiazole;2-[3-(3,3-dimethyl-1-propylindol-2-ylidene)prop-1-enyl]-1,1-dimethyl-3-propylbenzo[e]indol-3-ium;3-[2-[3-[1,1-dimethyl-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3,3,5-trimethylindol-1-yl]propane-1-sulfonate;2-[3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-1,3,3-trimethylbenzo[f]indole;2-[3-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)prop-2-enylidene]-1,3,3-trimethylbenzo[f]indole
CID 91186340
(2E)-1-benzyl-2-[(2E,4E)-5-(3-benzyl-1,3-dimethylbenzo[g]indol-1-ium-2-yl)penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;3-ethyl-2-[5-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole;1-ethyl-2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylbenzo[g]indol-1-ium;1-methyl-2-[5-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)penta-2,4-dienylidene]benzo[e][1,3]benzothiazole;1-methyl-2-[5-(1-methylspiro[benzo[g]indole-3,1'-cyclohexane]-2-ylidene)penta-1,3-dienyl]spiro[benzo[g]indol-1-ium-3,1'-cyclohexane];dichloride;iodide;diperchlorate
CID 157212349
2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2H-benzo[e]indol-2-yl)ethylidene]cyclohexen-1-yl]ethenyl]-3-ethyl-1,1-dimethylbenzo[e]indol-3-ium;N-[(5E)-2-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;fluoride;perchlorate
CID 157278172
butyl(triphenyl)boranuide;bis((2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole);bis(N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline);(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]-1,1,3-trimethylbenzo[e]indole;methane;iodide;perchlorate
CID 157429936
4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium
CID 157464078
2-[2-[2-chloro-3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;(Z,3E)-1-(N-methylanilino)-3-[3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-(N-phenylanilino)cyclopent-2-en-1-ylidene]prop-1-ene-1-thiol;4-methylbenzenesulfonate;2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;trifluoroborane;fluoride;iodide;diperchlorate
CID 157999476
sodium;(2Z)-2-[(2Z,4E)-3,5-bis(3-heptyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-1,3-thiazolidine;4-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]benzo[g][1,3]benzothiazole;(2Z)-3-ethyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;methane;(2E)-1,1,3-trimethyl-2-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole;diiodide;triperchlorate
CID 158075894
CID 158253742
CID 158253742
2-[2-[2-chloro-3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;N-[(5E)-2-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;trifluoroborane;fluoride;iodide;diperchlorate
CID 158513401
2-[2-[2-chloro-3-[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;N-[(5E)-2-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;fluoride;perchlorate
CID 158674988
(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;1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;(2E)-1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;(3E)-1-ethyl-2-phenyl-3-[1,5,5-tris(1-ethyl-2-phenylindol-3-yl)penta-2,4-dienylidene]indol-1-ium;trifluoroborane;1,1,3-trimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole;1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,2-dihydroindol-1-ium-2-yl)prop-2-enylidene]indole;fluoride;tetraiodide;diperchlorate
CID 158795449
4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;(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]-1,1,3-trimethylbenzo[e]indole;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium
CID 159017602

Frequently Asked Questions

What is the IUPAC name of CID 157922267?
The IUPAC name of CID 157922267 (CID 157922267) is sodium;(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-phenylcyclopent-2-en-1-ylidene]ethylidene]benzo[cd]indole;(2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-phenylsulfanylcyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2E)-2-[(E,4E)-4-[2-chloro-3-[(1E,3E)-4-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)buta-1,3-dienyl]cyclohex-2-en-1-ylidene]but-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(3-methylbutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-3-(3-methylbutyl)benzo[e]indole;N-[(5E)-2-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;(2Z)-3-ethyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]benzo[g][1,3]benzothiazole;(2Z)-3-ethyl-2-[(E)-3-(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]benzo[g][1,3]benzothiazole;pentafluoro-lambda5-stibane;trifluoroborane;(2E)-1,1,3-trimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole;bromide;difluoride;hexafluorophosphate;iodide;triperchlorate.
What is the SMILES notation for CID 157922267?
The canonical SMILES for CID 157922267 is B(F)(F)F.CCCCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\4/CCC(=C4SC5=CC=CC=C5)/C=C/C6=[N+](C7=C(C6(C)C)C8=CC=CC=C8C=C7)CCCC)(C)C.CCCCN\1C2=CC=CC3=C2C(=CC=C3)/C1=C\C=C\4/CCC(=C4C5=CC=CC=C5)/C=C/C6=[N+](C7=CC=CC8=C7C6=CC=C8)CCCC.CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\4/CCC(=C4N(C5=CC=CC=C5)C6=CC=CC=C6)/C=C/C7=[N+](C8=C(C7(C)C)C9=CC=CC=C9C=C8)CC)(C)C.CCN\1C2=C(C3=CC=CC=C3C=C2)S/C1=C\C4=C/C(=C/C=C/C5=C/C(=C/C6=[N+](C7=C(S6)C8=CC=CC=C8C=C7)CC)/CC(C5)(C)C)/CC(C4)(C)C.CCN\1C2=C(C3=CC=CC=C3C=C2)S/C1=C\C(=C\C4=[N+](C5=C(S4)C6=CC=CC=C6C=C5)CC)\C.CC(C)CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\C=C\C4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)CCC(C)C)(C)C.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C/4\C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C4=C(/C(=C/C=C/C=C/5\C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C4=C(/C(=C/C=C/5\C(C6=C(N5CCCCS(=O)(=O)[O-])C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[F-].[F-].F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.[Na+].[Br-].[I-].
What is the InChIKey of CID 157922267?
The InChIKey is JINQJOVBBQJETI-UHFFFAOYSA-A. The full InChI is InChI=1S/C53H52N3.C51H55N2S.C47H49N2S2.C46H51ClN2O6S2.C45H43N2.C44H44ClN2.C43H51N2.C35H35N2.C30H27N2S2.BF3.BrH.3ClHO4.F6P.7FH.HI.Na.Sb/c1-7-54-45-33-29-37-19-15-17-25-43(37)49(45)52(3,4)47(54)35-31-39-27-28-40(51(39)56(41-21-11-9-12-22-41)42-23-13-10-14-24-42)32-36-48-53(5,6)50-44-26-18-16-20-38(44)30-34-46(50)55(48)8-2;1-7-9-34-52-43-30-26-36-18-14-16-22-41(36)47(43)50(3,4)45(52)32-28-38-24-25-39(49(38)54-40-20-12-11-13-21-40)29-33-46-51(5,6)48-42-23-17-15-19-37(42)27-31-44(48)53(46)35-10-8-2;1-7-48-40-22-20-36-16-9-11-18-38(36)44(40)50-42(48)26-34-24-32(28-46(3,4)30-34)14-13-15-33-25-35(31-47(5,6)29-33)27-43-49(8-2)41-23-21-37-17-10-12-19-39(37)45(41)51-43;1-45(2)40(48(28-9-11-30-56(50,51)52)38-24-20-32-14-5-7-18-36(32)42(38)45)26-22-34-16-13-17-35(44(34)47)23-27-41-46(3,4)43-37-19-8-6-15-33(37)21-25-39(43)49(41)29-10-12-31-57(53,54)55;1-3-5-30-46-39(37-20-10-16-33-18-12-22-41(46)44(33)37)28-26-35-24-25-36(43(35)32-14-8-7-9-15-32)27-29-40-38-21-11-17-34-19-13-23-42(45(34)38)47(40)31-6-4-2;1-43(2)38(46(5)36-28-26-30-16-7-11-22-34(30)40(36)43)24-13-9-18-32-20-15-21-33(42(32)45)19-10-14-25-39-44(3,4)41-35-23-12-8-17-31(35)27-29-37(41)47(39)6;1-30(2)26-28-44-36-24-22-32-16-12-14-18-34(32)40(36)42(5,6)38(44)20-10-9-11-21-39-43(7,8)41-35-19-15-13-17-33(35)23-25-37(41)45(39)29-27-31(3)4;1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6;1-4-31-25-16-14-21-10-6-8-12-23(21)29(25)33-27(31)18-20(3)19-28-32(5-2)26-17-15-22-11-7-9-13-24(22)30(26)34-28;2-1(3)4;;3*2-1(3,4)5;1-7(2,3,4,5)6;;;;;;;;;;/h9-26,29-36H,7-8,27-28H2,1-6H3;11-23,26-33H,7-10,24-25,34-35H2,1-6H3;9-27H,7-8,28-31H2,1-6H3;5-8,14-15,18-27H,9-13,16-17,28-31H2,1-4H3,(H-,50,51,52,53,54,55);7-23,26-29H,3-6,24-25,30-31H2,1-2H3;7-14,16-19,22-29H,15,20-21H2,1-6H3;9-25,30-31H,26-29H2,1-8H3;7-23H,1-6H3;6-19H,4-5H2,1-3H3;;1H;3*(H,2,3,4,5);;8*1H;;/q3*+1;;5*+1;;;;;;-1;;;;;;;;;+1;+5/p-13.
What are the key properties of CID 157922267?
CID 157922267 has a molecular weight of 6795.00 g/mol, XLogP of not available, 68 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157922267 is sourced from PubChem (CID 157922267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).