2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole

C279H330ClN19O6S4+8 — CID 160739704

IUPAC2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole
SMILESC.C.C.C.C.C.C.C.CCN(CC)c1ccc(C(=CC=CC(=C2C=CC([NH+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1.CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21.CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.CN1C(=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21.CN1C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.CNCc1ccc(C(=CC=CC(=C2C=CC([NH+](C)C)C=C2)c2ccccc2)c2ccccc2)cc1.COC(=O)CCCN1C(=CC=C2CCC(C=Cc3sc4cc5ccccc5cc4[n+]3CCCC(=O)OC)C2N(c2ccccc2)c2ccccc2)Sc2cc3ccccc3cc21.COCCN1C(=CC=C2CCCC(C=CC3=[N+](CCOC)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21
InChIInChI=1S/C53H50N3O4S2.C45H60N4.C36H44ClN2O2.C33H33N2.C33H34N2.C25H29N2.C25H25N2.C21H21N2S2.8CH4/c1-59-51(57)23-13-31-54-45-33-39-15-9-11-17-41(39)35-47(45)61-49(54)29-27-37-25-26-38(53(37)56(43-19-5-3-6-20-43)44-21-7-4-8-22-44)28-30-50-55(32-14-24-52(58)60-2)46-34-40-16-10-12-18-42(40)36-48(46)62-50;1-9-46(10-2)40-28-20-36(21-29-40)44(37-22-30-41(31-23-37)47(11-3)12-4)18-17-19-45(38-24-32-42(33-25-38)48(13-5)14-6)39-26-34-43(35-27-39)49(15-7)16-8;1-35(2)28-14-7-9-16-30(28)38(22-24-40-5)32(35)20-18-26-12-11-13-27(34(26)37)19-21-33-36(3,4)29-15-8-10-17-31(29)39(33)23-25-41-6;1-32(2)28(34(5)26-20-18-22-12-7-9-14-24(22)30(26)32)16-11-17-29-33(3,4)31-25-15-10-8-13-23(25)19-21-27(31)35(29)6;1-34-25-26-17-19-29(20-18-26)32(27-11-6-4-7-12-27)15-10-16-33(28-13-8-5-9-14-28)30-21-23-31(24-22-30)35(2)3;1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;;;;;;;;/h3-12,15-22,27-30,33-37,53H,13-14,23-26,31-32H2,1-2H3;17-35,40H,9-16H2,1-8H3;7-10,14-21H,11-13,22-25H2,1-6H3;7-21H,1-6H3;4-24,31,34H,25H2,1-3H3;7-17H,1-6H3;5-19H,3-4H2,1-2H3;5-15H,3-4H2,1-2H3;8*1H4/q+1;;2*+1;;3*+1;;;;;;;;/p+2/b;18-17?,44-36-;;;16-10?,32-15?,33-30-;;;;;;;;;;;
InChIKeyRVKKEWAVPQCOCA-WOCNLOJUSA-P
MW4209.56 g/mol
LogP64.99
Rot. Bonds60

About 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole

2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole (PubChem CID 160739704) has the molecular formula C279H330ClN19O6S4+8 and a molecular weight of 4209.56 g/mol. Its IUPAC name is 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole.

Molecular Properties

Compound Name2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole
PubChem CID160739704
Molecular FormulaC279H330ClN19O6S4+8
Molecular Weight4209.56 g/mol
Exact Mass4205.46
IUPAC Name2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole
SMILESC.C.C.C.C.C.C.C.CCN(CC)c1ccc(C(=CC=CC(=C2C=CC([NH+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1.CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21.CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.CN1C(=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21.CN1C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.CNCc1ccc(C(=CC=CC(=C2C=CC([NH+](C)C)C=C2)c2ccccc2)c2ccccc2)cc1.COC(=O)CCCN1C(=CC=C2CCC(C=Cc3sc4cc5ccccc5cc4[n+]3CCCC(=O)OC)C2N(c2ccccc2)c2ccccc2)Sc2cc3ccccc3cc21.COCCN1C(=CC=C2CCCC(C=CC3=[N+](CCOC)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21
InChIInChI=1S/C53H50N3O4S2.C45H60N4.C36H44ClN2O2.C33H33N2.C33H34N2.C25H29N2.C25H25N2.C21H21N2S2.8CH4/c1-59-51(57)23-13-31-54-45-33-39-15-9-11-17-41(39)35-47(45)61-49(54)29-27-37-25-26-38(53(37)56(43-19-5-3-6-20-43)44-21-7-4-8-22-44)28-30-50-55(32-14-24-52(58)60-2)46-34-40-16-10-12-18-42(40)36-48(46)62-50;1-9-46(10-2)40-28-20-36(21-29-40)44(37-22-30-41(31-23-37)47(11-3)12-4)18-17-19-45(38-24-32-42(33-25-38)48(13-5)14-6)39-26-34-43(35-27-39)49(15-7)16-8;1-35(2)28-14-7-9-16-30(28)38(22-24-40-5)32(35)20-18-26-12-11-13-27(34(26)37)19-21-33-36(3,4)29-15-8-10-17-31(29)39(33)23-25-41-6;1-32(2)28(34(5)26-20-18-22-12-7-9-14-24(22)30(26)32)16-11-17-29-33(3,4)31-25-15-10-8-13-23(25)19-21-27(31)35(29)6;1-34-25-26-17-19-29(20-18-26)32(27-11-6-4-7-12-27)15-10-16-33(28-13-8-5-9-14-28)30-21-23-31(24-22-30)35(2)3;1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;;;;;;;;/h3-12,15-22,27-30,33-37,53H,13-14,23-26,31-32H2,1-2H3;17-35,40H,9-16H2,1-8H3;7-10,14-21H,11-13,22-25H2,1-6H3;7-21H,1-6H3;4-24,31,34H,25H2,1-3H3;7-17H,1-6H3;5-19H,3-4H2,1-2H3;5-15H,3-4H2,1-2H3;8*1H4/q+1;;2*+1;;3*+1;;;;;;;;/p+2/b;18-17?,44-36-;;;16-10?,32-15?,33-30-;;;;;;;;;;;
InChIKeyRVKKEWAVPQCOCA-WOCNLOJUSA-P
XLogP64.99
TPSA145.04 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds60
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004209.56
LogP ≤ 564.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole with MolForge

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Related Compounds

(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;(2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole;(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-chloro-3-[(E)-2-[3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;(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;(2E)-3-ethyl-2-[(2E)-2-[3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole
CID 165055514
phenyl 6-[2-[2-[2-chloro-3-[2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate
CID 174001328
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;dimethyl-[4-[(2E)-1,5,5-tris[4-(dimethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium;4-methylbenzenesulfonate;trifluoroborane;fluoride
CID 157076063
trisodium;3-[2-[2-[3-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propane-1-sulfonate;2,6-ditert-butyl-4-[(1E,3E)-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]thiopyrylium;[4-[[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]cyclohexen-1-yl]methylidene]cyclohexa-2,5-dien-1-yl]-dimethylazanium;[4-[(2E,4E)-5-[4-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;3-[2-[4-(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)buta-1,3-dienyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;4-[(1E,3E)-5-(2,6-diphenylpyran-4-ylidene)penta-1,3-dienyl]-2,6-diphenylpyrylium;tetrakis(tritide)
CID 159799971
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
bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;trifluoride;iodide;perchlorate
CID 159794279
4-[(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-dimethylindol-1-yl]butanoic acid;3-[(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-dimethylindol-1-yl]-N-(3-triethoxysilylpropyl)propanamide;2-[(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-[2-(3-triethoxysilylpropylcarbamoyloxy)ethyl]benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]ethyl N-(3-triethoxysilylpropyl)carbamate;trifluoromethanesulfonate;diperchlorate
CID 159630684
6-[2-[2-[3-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]-N-methylhexanamide
CID 160932542
(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
CID 43833419
[9-(4-amino-2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;[6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium;[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;(2,5-dioxopyrrolidin-1-yl) 5-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]pentanoate;10-dodecyl-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;1-ethenyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methyl thiocyanate;(2E)-1,1,3-trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole
CID 157294418
4-[2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butanoic acid
CID 76584105
2-[2-[2-(benzenesulfonyl)-3-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-butyl-1,1-dimethylbenzo[e]indole;(2Z)-3-butyl-2-[(2Z)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole;(2Z)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-(1,2,4-triazol-1-yl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole;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;4-methylbenzenesulfonate;chloride;hexafluorophosphate;tetrafluoroborate
CID 162111889

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole?
The IUPAC name of 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole (CID 160739704) is 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole.
What is the SMILES notation for 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole?
The canonical SMILES for 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole is C.C.C.C.C.C.C.C.CCN(CC)c1ccc(C(=CC=CC(=C2C=CC([NH+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1.CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21.CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.CN1C(=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21.CN1C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.CNCc1ccc(C(=CC=CC(=C2C=CC([NH+](C)C)C=C2)c2ccccc2)c2ccccc2)cc1.COC(=O)CCCN1C(=CC=C2CCC(C=Cc3sc4cc5ccccc5cc4[n+]3CCCC(=O)OC)C2N(c2ccccc2)c2ccccc2)Sc2cc3ccccc3cc21.COCCN1C(=CC=C2CCCC(C=CC3=[N+](CCOC)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.
What is the InChIKey of 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole?
The InChIKey is RVKKEWAVPQCOCA-WOCNLOJUSA-P. The full InChI is InChI=1S/C53H50N3O4S2.C45H60N4.C36H44ClN2O2.C33H33N2.C33H34N2.C25H29N2.C25H25N2.C21H21N2S2.8CH4/c1-59-51(57)23-13-31-54-45-33-39-15-9-11-17-41(39)35-47(45)61-49(54)29-27-37-25-26-38(53(37)56(43-19-5-3-6-20-43)44-21-7-4-8-22-44)28-30-50-55(32-14-24-52(58)60-2)46-34-40-16-10-12-18-42(40)36-48(46)62-50;1-9-46(10-2)40-28-20-36(21-29-40)44(37-22-30-41(31-23-37)47(11-3)12-4)18-17-19-45(38-24-32-42(33-25-38)48(13-5)14-6)39-26-34-43(35-27-39)49(15-7)16-8;1-35(2)28-14-7-9-16-30(28)38(22-24-40-5)32(35)20-18-26-12-11-13-27(34(26)37)19-21-33-36(3,4)29-15-8-10-17-31(29)39(33)23-25-41-6;1-32(2)28(34(5)26-20-18-22-12-7-9-14-24(22)30(26)32)16-11-17-29-33(3,4)31-25-15-10-8-13-23(25)19-21-27(31)35(29)6;1-34-25-26-17-19-29(20-18-26)32(27-11-6-4-7-12-27)15-10-16-33(28-13-8-5-9-14-28)30-21-23-31(24-22-30)35(2)3;1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;;;;;;;;/h3-12,15-22,27-30,33-37,53H,13-14,23-26,31-32H2,1-2H3;17-35,40H,9-16H2,1-8H3;7-10,14-21H,11-13,22-25H2,1-6H3;7-21H,1-6H3;4-24,31,34H,25H2,1-3H3;7-17H,1-6H3;5-19H,3-4H2,1-2H3;5-15H,3-4H2,1-2H3;8*1H4/q+1;;2*+1;;3*+1;;;;;;;;/p+2/b;18-17?,44-36-;;;16-10?,32-15?,33-30-;;;;;;;;;;;.
What are the key properties of 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole?
2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole has a molecular weight of 4209.56 g/mol, XLogP of 64.99, 60 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;diethyl-[4-[1,5,5-tris[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;dimethyl-[4-[5-[4-(methylaminomethyl)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-yl]azanium;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;methane;methyl 4-[2-[2-[3-[2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopentylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate;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-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole is sourced from PubChem (CID 160739704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).