2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium)

C293H301F18N52O28Ru6S3+2 — CID 159543795

IUPAC2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=C(O)c1ccnc(-c2[c-]c(-c3ccccn3)ccc2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[Ru+2].[Ru+2].[Ru+2].[Ru+3].[Ru+3].[Ru+3].[c-]1c(-c2ccccn2)cccc1-c1nc2ccccc2s1.[c-]1c(-c2nc3ccccc3s2)cccc1-c1nc2ccccc2s1.c1ccc(-c2cccc(-c3ccncn3)n2)nc1.c1ccc(-c2cccc(-c3ncncn3)n2)nc1.c1cnc(-c2cccc(-c3ncccn3)n2)nc1
InChIInChI=1S/6C26H28F3N5O.C20H11N2S2.C18H11N2S.C17H11N2O2.2C16H36N.C14H10N4.2C13H9N5.10CO2.6Ru/c6*1-4-5-6-7-11-35-23-10-8-9-16(2)25(23)18-13-20(19(31)12-17(3)30)32-21(14-18)22-15-24(34-33-22)26(27,28)29;1-3-10-17-15(8-1)21-19(23-17)13-6-5-7-14(12-13)20-22-16-9-2-4-11-18(16)24-20;1-2-10-17-16(9-1)20-18(21-17)14-7-5-6-13(12-14)15-8-3-4-11-19-15;20-17(21)14-7-9-19-16(11-14)13-5-3-4-12(10-13)15-6-1-2-8-18-15;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-8-16-11(4-1)13-5-3-6-14(18-13)12-7-9-15-10-17-12;1-4-10(12-14-6-2-7-15-12)18-11(5-1)13-16-8-3-9-17-13;1-2-7-15-10(4-1)11-5-3-6-12(18-11)13-16-8-14-9-17-13;10*2-1-3;;;;;;/h6*8-10,12-15,30-31H,4-7,11H2,1-3H3;1-11H;1-11H;1-9,11H,(H,20,21);2*5-16H2,1-4H3;1-10H;2*1-9H;;;;;;;;;;;;;;;;/q6*-2;3*-1;2*+1;;;;;;;;;;;;;;3*+2;3*+3/b3*19-12-,30-17+;3*19-12-,30-17-;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVUCYQHQDVNPPJZ-KTYUMCMUSA-N
MW6043.55 g/mol
LogP69.85
Rot. Bonds97

About 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium)

2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium) (PubChem CID 159543795) has the molecular formula C293H301F18N52O28Ru6S3+2 and a molecular weight of 6043.55 g/mol. Its IUPAC name is 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium).

Molecular Properties

Compound Name2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium)
PubChem CID159543795
Molecular FormulaC293H301F18N52O28Ru6S3+2
Molecular Weight6043.55 g/mol
Exact Mass6044.69
IUPAC Name2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=C(O)c1ccnc(-c2[c-]c(-c3ccccn3)ccc2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[Ru+2].[Ru+2].[Ru+2].[Ru+3].[Ru+3].[Ru+3].[c-]1c(-c2ccccn2)cccc1-c1nc2ccccc2s1.[c-]1c(-c2nc3ccccc3s2)cccc1-c1nc2ccccc2s1.c1ccc(-c2cccc(-c3ccncn3)n2)nc1.c1ccc(-c2cccc(-c3ncncn3)n2)nc1.c1cnc(-c2cccc(-c3ncccn3)n2)nc1
InChIInChI=1S/6C26H28F3N5O.C20H11N2S2.C18H11N2S.C17H11N2O2.2C16H36N.C14H10N4.2C13H9N5.10CO2.6Ru/c6*1-4-5-6-7-11-35-23-10-8-9-16(2)25(23)18-13-20(19(31)12-17(3)30)32-21(14-18)22-15-24(34-33-22)26(27,28)29;1-3-10-17-15(8-1)21-19(23-17)13-6-5-7-14(12-13)20-22-16-9-2-4-11-18(16)24-20;1-2-10-17-16(9-1)20-18(21-17)14-7-5-6-13(12-14)15-8-3-4-11-19-15;20-17(21)14-7-9-19-16(11-14)13-5-3-4-12(10-13)15-6-1-2-8-18-15;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-8-16-11(4-1)13-5-3-6-14(18-13)12-7-9-15-10-17-12;1-4-10(12-14-6-2-7-15-12)18-11(5-1)13-16-8-3-9-17-13;1-2-7-15-10(4-1)11-5-3-6-12(18-11)13-16-8-14-9-17-13;10*2-1-3;;;;;;/h6*8-10,12-15,30-31H,4-7,11H2,1-3H3;1-11H;1-11H;1-9,11H,(H,20,21);2*5-16H2,1-4H3;1-10H;2*1-9H;;;;;;;;;;;;;;;;/q6*-2;3*-1;2*+1;;;;;;;;;;;;;;3*+2;3*+3/b3*19-12-,30-17+;3*19-12-,30-17-;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVUCYQHQDVNPPJZ-KTYUMCMUSA-N
XLogP69.85
TPSA1217.06 Ų
H-Bond Donors7
H-Bond Acceptors68
Rotatable Bonds97
Heavy Atoms400
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006043.55
LogP ≤ 569.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1068

Analyze 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium) with MolForge

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Related Compounds

5-(5-Butylthiophen-2-yl)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;5-(5-butylthiophen-2-yl)-2-[3-(2,3,4,5,6-pentafluorophenyl)pyrazol-1-id-5-yl]pyridine;5-(3,5-dimethylthiophen-2-yl)-2-[3-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-5-yl]pyridine;2-[3-(2-fluoropropan-2-yl)pyrazol-1-id-5-yl]-5-(5-methylthiophen-2-yl)pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);tetrakis(ruthenium(2+));tetraisothiocyanate
CID 157180542
bis(carbon dioxide);chlororuthenium;2-[3-(difluoromethyl)pyrazol-1-id-5-yl]-4-(5-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;[2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;methane;4-methyl-2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]-6-pyridin-2-ylpyridine;propane;pyridine;2-[6-[6-pyridin-2-yl-4-[(E)-2-(4-tridecylphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);ruthenium(3+);chloride;triisothiocyanate
CID 157629485
1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-3-fluorobenzene;2-tert-butyl-3-methyl-1-benzofuran;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxy)-2-ethylbenzene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;methyl 5-tert-butylpyridine-3-carboxylate
CID 157860409
CID 158126533
CID 158126533
CID 158161972
CID 158161972
[(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate
CID 158256529
N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;4-(2,2-dimethylpropoxy)benzamide;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one
CID 159055312
carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate
CID 159319458
5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-(5-phenylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-prop-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate
CID 159726080
dodecakis(carbon dioxide);[(Z)-1-[4-(2,4-dihexoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;hydroxymethoxymethoxymethanol;4-[3-(methoxymethyl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(4-(3-pentadecylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);5-(3-pentadecylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;hexakis(ruthenium(2+));pentaisothiocyanate
CID 159827543
[2-[6-(1,3-benzothiazol-2-yl)-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(4-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2-[4-formyloxy-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-(4-formyloxy-6-pyrimidin-2-yl-2-pyridinyl)-4-pyridinyl] formate;tetrakis([(Z)-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis(ruthenium(1+))
CID 160504012
Tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate
CID 160699950

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium)?
The IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium) (CID 159543795) is 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium).
What is the SMILES notation for 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium)?
The canonical SMILES for 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium) is CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=C(O)c1ccnc(-c2[c-]c(-c3ccccn3)ccc2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)/C=C(\[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(C)cccc2OCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[Ru+2].[Ru+2].[Ru+2].[Ru+3].[Ru+3].[Ru+3].[c-]1c(-c2ccccn2)cccc1-c1nc2ccccc2s1.[c-]1c(-c2nc3ccccc3s2)cccc1-c1nc2ccccc2s1.c1ccc(-c2cccc(-c3ccncn3)n2)nc1.c1ccc(-c2cccc(-c3ncncn3)n2)nc1.c1cnc(-c2cccc(-c3ncccn3)n2)nc1.
What is the InChIKey of 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium)?
The InChIKey is VUCYQHQDVNPPJZ-KTYUMCMUSA-N. The full InChI is InChI=1S/6C26H28F3N5O.C20H11N2S2.C18H11N2S.C17H11N2O2.2C16H36N.C14H10N4.2C13H9N5.10CO2.6Ru/c6*1-4-5-6-7-11-35-23-10-8-9-16(2)25(23)18-13-20(19(31)12-17(3)30)32-21(14-18)22-15-24(34-33-22)26(27,28)29;1-3-10-17-15(8-1)21-19(23-17)13-6-5-7-14(12-13)20-22-16-9-2-4-11-18(16)24-20;1-2-10-17-16(9-1)20-18(21-17)14-7-5-6-13(12-14)15-8-3-4-11-19-15;20-17(21)14-7-9-19-16(11-14)13-5-3-4-12(10-13)15-6-1-2-8-18-15;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-8-16-11(4-1)13-5-3-6-14(18-13)12-7-9-15-10-17-12;1-4-10(12-14-6-2-7-15-12)18-11(5-1)13-16-8-3-9-17-13;1-2-7-15-10(4-1)11-5-3-6-12(18-11)13-16-8-14-9-17-13;10*2-1-3;;;;;;/h6*8-10,12-15,30-31H,4-7,11H2,1-3H3;1-11H;1-11H;1-9,11H,(H,20,21);2*5-16H2,1-4H3;1-10H;2*1-9H;;;;;;;;;;;;;;;;/q6*-2;3*-1;2*+1;;;;;;;;;;;;;;3*+2;3*+3/b3*19-12-,30-17+;3*19-12-,30-17-;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium)?
2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium) has a molecular weight of 6043.55 g/mol, XLogP of 69.85, 97 rotatable bonds, 7 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;decakis(carbon dioxide);hexakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);2-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazole;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine-4-carboxylic acid;4-(6-pyridin-2-yl-2-pyridinyl)pyrimidine;2-(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine;2-(6-pyrimidin-2-yl-2-pyridinyl)pyrimidine;tris(ruthenium(2+));tris(ruthenium(3+));bis(tetrabutylazanium) is sourced from PubChem (CID 159543795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).