pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium

C145H98N27O20Ru5-5 — CID 146681169

IUPACpentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium
SMILESO=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.[Ru].[Ru].[Ru].[Ru].[Ru].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/5C17H11N3O4.6C10H8N2.5Ru/c5*21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24;6*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;/h5*1-9H,(H,21,22)(H,23,24);6*1-8H;;;;;/p-5
InChIKeyOJYRLKFUPHJCOF-UHFFFAOYSA-I
MW3043.90 g/mol
LogP19.19
Rot. Bonds26

About pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium

pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium (PubChem CID 146681169) has the molecular formula C145H98N27O20Ru5-5 and a molecular weight of 3043.90 g/mol. Its IUPAC name is pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium.

Molecular Properties

Compound Namepentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium
PubChem CID146681169
Molecular FormulaC145H98N27O20Ru5-5
Molecular Weight3043.90 g/mol
Exact Mass3046.27
IUPAC Namepentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium
SMILESO=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.[Ru].[Ru].[Ru].[Ru].[Ru].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/5C17H11N3O4.6C10H8N2.5Ru/c5*21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24;6*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;/h5*1-9H,(H,21,22)(H,23,24);6*1-8H;;;;;/p-5
InChIKeyOJYRLKFUPHJCOF-UHFFFAOYSA-I
XLogP19.19
TPSA735.18 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds26
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003043.90
LogP ≤ 519.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

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Launch Full Analysis

Related Compounds

methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139140582
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 58510481
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157109008
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyridine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157213762
bis(2,6-dimethoxy-3-pyridin-2-yl-4H-pyridin-4-ide);bis(2,6-dimethoxy-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide);tetrakis(iridium);bis(6-methoxy-2-methyl-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(6-methoxy-2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide);tetrakis(pyridine-2-carboxylic acid)
CID 157304481
2,6-Bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(pyridine-2,6-dicarboxylic acid);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium
CID 157453449
2-(2,4-difluorobenzene-6-id-1-yl)-4-fluoropyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(1,2-dihydropyrrol-2-id-3-yl)pyridine;2-(1,3-dihydropyrrol-3-id-4-yl)pyridine;4-fluoro-2-(4H-pyridin-4-id-3-yl)pyridine;decakis(iridium);2-methyl-6-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-yl-3H-pyridin-3-ide;4-pyridin-2-yl-3H-pyridin-3-ide;2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine
CID 157749869
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;platinum;platinum(2+);pyridine-2-carboxylic acid
CID 157813285
[(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid);[C-pyridin-2-yl-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-pyridin-2-ylbut-1-enyl]azanide
CID 158026074
2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(iridium);bis(iridium(3+));1-[3-(4H-pyrazol-1-ium-1-yl)benzene-2-id-1-yl]pyrazole;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;bis(pyridine-2,6-dicarboxylic acid);2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine
CID 158041425
methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one
CID 158273321
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 158305909

Frequently Asked Questions

What is the IUPAC name of pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium?
The IUPAC name of pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium (CID 146681169) is pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium.
What is the SMILES notation for pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium?
The canonical SMILES for pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium is O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.[Ru].[Ru].[Ru].[Ru].[Ru].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium?
The InChIKey is OJYRLKFUPHJCOF-UHFFFAOYSA-I. The full InChI is InChI=1S/5C17H11N3O4.6C10H8N2.5Ru/c5*21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24;6*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;/h5*1-9H,(H,21,22)(H,23,24);6*1-8H;;;;;/p-5.
What are the key properties of pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium?
pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium has a molecular weight of 3043.90 g/mol, XLogP of 19.19, 26 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);hexakis(4-pyridin-4-ylpyridine);ruthenium is sourced from PubChem (CID 146681169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).