dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate

C204H195Cl3K2N10O21S10 — CID 158520972

IUPACdipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate
SMILESCN1/C(=C/C=C2\CCC(/C=C/c3sc4ccccc4[n+]3C)=C2Cl)Sc2ccccc21.CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2Oc2ccccc2)C(C)(C)c2c1ccc1ccccc21.CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2Sc2ccccc2)C(C)(C)c2c1ccc1ccccc21.CN1/C(=C/C=C2\CCCC(/C=C/c3sc4c5ccccc5ccc4[n+]3C)=C2Cl)Sc2c1ccc1ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.O=S=O.[CH2-]CC[N+]1=C(C=C2C(=O)C(/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)C)=C2[O-])C(C)(C)c2ccccc21.[K+].[K+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C46H45N2O.C46H45N2S.C34H28ClN2S2.C32H36N2O5S.C25H22ClN2S2.3C7H8O3S.ClHO4.2K.O2S/c2*1-45(2)40(47(5)38-27-23-31-15-10-12-21-36(31)42(38)45)29-25-33-17-14-18-34(44(33)49-35-19-8-7-9-20-35)26-30-41-46(3,4)43-37-22-13-11-16-32(37)24-28-39(43)48(41)6;1-36-28-18-14-22-8-3-5-12-26(22)33(28)38-30(36)20-16-24-10-7-11-25(32(24)35)17-21-31-37(2)29-19-15-23-9-4-6-13-27(23)34(29)39-31;1-6-16-33-25-14-9-7-12-23(25)31(2,3)27(33)19-21-29(35)22(30(21)36)20-28-32(4,5)24-13-8-10-15-26(24)34(28)17-11-18-40(37,38)39;1-27-19-7-3-5-9-21(19)29-23(27)15-13-17-11-12-18(25(17)26)14-16-24-28(2)20-8-4-6-10-22(20)30-24;3*1-6-2-4-7(5-3-6)11(8,9)10;2-1(3,4)5;;;1-3-2/h2*7-13,15-16,19-30H,14,17-18H2,1-6H3;3-6,8-9,12-21H,7,10-11H2,1-2H3;7-10,12-15,19-20,35H,1,6,11,16-18H2,2-5H3,(H,37,38,39);3-10,13-16H,11-12H2,1-2H3;3*2-5H,1H3,(H,8,9,10);(H,2,3,4,5);;;/q3*+1;;+1;;;;;2*+1;/p-6
InChIKeyWHLBPSGDSVMDHW-UHFFFAOYSA-H
MW3628.08 g/mol
LogP35.41
Rot. Bonds27

About dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate

dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate (PubChem CID 158520972) has the molecular formula C204H195Cl3K2N10O21S10 and a molecular weight of 3628.08 g/mol. Its IUPAC name is dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate.

Molecular Properties

Compound Namedipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate
PubChem CID158520972
Molecular FormulaC204H195Cl3K2N10O21S10
Molecular Weight3628.08 g/mol
Exact Mass3623.00
IUPAC Namedipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate
SMILESCN1/C(=C/C=C2\CCC(/C=C/c3sc4ccccc4[n+]3C)=C2Cl)Sc2ccccc21.CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2Oc2ccccc2)C(C)(C)c2c1ccc1ccccc21.CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2Sc2ccccc2)C(C)(C)c2c1ccc1ccccc21.CN1/C(=C/C=C2\CCCC(/C=C/c3sc4c5ccccc5ccc4[n+]3C)=C2Cl)Sc2c1ccc1ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.O=S=O.[CH2-]CC[N+]1=C(C=C2C(=O)C(/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)C)=C2[O-])C(C)(C)c2ccccc21.[K+].[K+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C46H45N2O.C46H45N2S.C34H28ClN2S2.C32H36N2O5S.C25H22ClN2S2.3C7H8O3S.ClHO4.2K.O2S/c2*1-45(2)40(47(5)38-27-23-31-15-10-12-21-36(31)42(38)45)29-25-33-17-14-18-34(44(33)49-35-19-8-7-9-20-35)26-30-41-46(3,4)43-37-22-13-11-16-32(37)24-28-39(43)48(41)6;1-36-28-18-14-22-8-3-5-12-26(22)33(28)38-30(36)20-16-24-10-7-11-25(32(24)35)17-21-31-37(2)29-19-15-23-9-4-6-13-27(23)34(29)39-31;1-6-16-33-25-14-9-7-12-23(25)31(2,3)27(33)19-21-29(35)22(30(21)36)20-28-32(4,5)24-13-8-10-15-26(24)34(28)17-11-18-40(37,38)39;1-27-19-7-3-5-9-21(19)29-23(27)15-13-17-11-12-18(25(17)26)14-16-24-28(2)20-8-4-6-10-22(20)30-24;3*1-6-2-4-7(5-3-6)11(8,9)10;2-1(3,4)5;;;1-3-2/h2*7-13,15-16,19-30H,14,17-18H2,1-6H3;3-6,8-9,12-21H,7,10-11H2,1-2H3;7-10,12-15,19-20,35H,1,6,11,16-18H2,2-5H3,(H,37,38,39);3-10,13-16H,11-12H2,1-2H3;3*2-5H,1H3,(H,8,9,10);(H,2,3,4,5);;;/q3*+1;;+1;;;;;2*+1;/p-6
InChIKeyWHLBPSGDSVMDHW-UHFFFAOYSA-H
XLogP35.41
TPSA437.53 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003628.08
LogP ≤ 535.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate with MolForge

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Related Compounds

1,1-bis(trifluoromethylsulfonyl)ethane;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propylbenzo[g][1,3]benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;2-[7-(3,3-dimethyl-1-propylindol-1-ium-2-yl)-4-phenylhepta-2,4,6-trienylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;tris(methyl(trifluoromethylsulfonyl)azanide)
CID 158481911
1,1-bis(trifluoromethylsulfonyl)ethane;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propylbenzo[g][1,3]benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[7-(3,3-dimethyl-1-propylindol-1-ium-2-yl)-4-phenylhepta-2,4,6-trienylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;tris(methyl(trifluoromethylsulfonyl)azanide)
CID 161008062
CID 157276431
CID 157276431
3-Butyl-2-[3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;3-butyl-2-[3-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium;3-butyl-2-[3-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-6-methoxy-1,3-benzothiazol-3-ium;3-butyl-2-[3-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-6-methyl-1,3-benzothiazol-3-ium;3-butyl-2-[3-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-methyl-1,3-benzothiazole;3-butyl-2-[3-(1-butyl-3,3,5-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium;hexaperchlorate
CID 157750009
CID 157756379
CID 157756379
CID 158117776
CID 158117776
CID 158276727
CID 158276727
4-[(2E)-2-[(E,4E)-4-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]but-2-enylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(E,4E)-4-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]but-2-enylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(E,4E)-4-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]but-2-enylidene]-3-methyl-1,3-benzothiazole;tris(4-methylbenzenesulfonate);triethylazanium;(2E)-1,1,3-trimethyl-2-[(E,4E)-4-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]but-2-enylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(E,4E)-4-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]but-2-enylidene]benzo[e]indole;perchlorate
CID 158312506
(2E)-2-[(2E)-2-[2-bromo-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;4-chlorobenzenesulfonate;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;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;bis(4-methylbenzenesulfonate);triethylazanium;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate
CID 158407087
CID 158542677
CID 158542677
CID 158844501
CID 158844501
CID 159973077
CID 159973077

Frequently Asked Questions

What is the IUPAC name of dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate?
The IUPAC name of dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate (CID 158520972) is dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate.
What is the SMILES notation for dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate?
The canonical SMILES for dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate is CN1/C(=C/C=C2\CCC(/C=C/c3sc4ccccc4[n+]3C)=C2Cl)Sc2ccccc21.CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2Oc2ccccc2)C(C)(C)c2c1ccc1ccccc21.CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2Sc2ccccc2)C(C)(C)c2c1ccc1ccccc21.CN1/C(=C/C=C2\CCCC(/C=C/c3sc4c5ccccc5ccc4[n+]3C)=C2Cl)Sc2c1ccc1ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.O=S=O.[CH2-]CC[N+]1=C(C=C2C(=O)C(/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)C)=C2[O-])C(C)(C)c2ccccc21.[K+].[K+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate?
The InChIKey is WHLBPSGDSVMDHW-UHFFFAOYSA-H. The full InChI is InChI=1S/C46H45N2O.C46H45N2S.C34H28ClN2S2.C32H36N2O5S.C25H22ClN2S2.3C7H8O3S.ClHO4.2K.O2S/c2*1-45(2)40(47(5)38-27-23-31-15-10-12-21-36(31)42(38)45)29-25-33-17-14-18-34(44(33)49-35-19-8-7-9-20-35)26-30-41-46(3,4)43-37-22-13-11-16-32(37)24-28-39(43)48(41)6;1-36-28-18-14-22-8-3-5-12-26(22)33(28)38-30(36)20-16-24-10-7-11-25(32(24)35)17-21-31-37(2)29-19-15-23-9-4-6-13-27(23)34(29)39-31;1-6-16-33-25-14-9-7-12-23(25)31(2,3)27(33)19-21-29(35)22(30(21)36)20-28-32(4,5)24-13-8-10-15-26(24)34(28)17-11-18-40(37,38)39;1-27-19-7-3-5-9-21(19)29-23(27)15-13-17-11-12-18(25(17)26)14-16-24-28(2)20-8-4-6-10-22(20)30-24;3*1-6-2-4-7(5-3-6)11(8,9)10;2-1(3,4)5;;;1-3-2/h2*7-13,15-16,19-30H,14,17-18H2,1-6H3;3-6,8-9,12-21H,7,10-11H2,1-2H3;7-10,12-15,19-20,35H,1,6,11,16-18H2,2-5H3,(H,37,38,39);3-10,13-16H,11-12H2,1-2H3;3*2-5H,1H3,(H,8,9,10);(H,2,3,4,5);;;/q3*+1;;+1;;;;;2*+1;/p-6.
What are the key properties of dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate?
dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate has a molecular weight of 3628.08 g/mol, XLogP of 35.41, 27 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methylbenzo[g][1,3]benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-methylbenzo[g][1,3]benzothiazole;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-methyl-1,3-benzothiazole;3-[(2E)-2-[[3-[(3,3-dimethyl-1-propylindol-1-ium-2-yl)methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;tris(4-methylbenzenesulfonate);sulfur dioxide;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-phenoxy-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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;perchlorate is sourced from PubChem (CID 158520972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).