2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid

C118H89Ir4N14O10-5 — CID 157502803

IUPAC2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid
SMILESCC(C)(C)C1=N[N-]C(=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=NC(=CC=C2)C3=CC=CC=[C-]3.C1=CC=C([C-]=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)C4=CC=CC=[C-]4.C1=CC=C(C(=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)C4=CC=CC=C4O)O.C1=CC=C(C(=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)C4=CC=CC=C4O)O.C1=CC=NC(=C1)C2=NC(=CC=C2)C(=O)O.C1=CC=NC(=C1)C(=O)O.C1=CC=NC(=C1)C(=O)O.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C22H16N2O2.C22H14N2.C17H11N.C12H14N3.C11H8N2O2.2C6H5NO2.4Ir/c2*25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-3-9-17(10-4-1)19-13-7-15-21(23-19)22-16-8-14-20(24-22)18-11-5-2-6-12-18;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;14-11(15)10-6-3-5-9(13-10)8-4-1-2-7-12-8;2*8-6(9)5-3-1-2-4-7-5;;;;/h2*1-14,25-26H;1-9,11,13-16H;1-8,10,12-13H;4-8H,1-3H3;1-7H,(H,14,15);2*1-4H,(H,8,9);;;;/q;;2*-2;-1;;;;;;;
InChIKeyKRYXWDXORKCVSO-UHFFFAOYSA-N
MW2631.90 g/mol
LogP—
Rot. Bonds1

About 2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid

2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid (PubChem CID 157502803) has the molecular formula C118H89Ir4N14O10-5 and a molecular weight of 2631.90 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid
PubChem CID157502803
Molecular FormulaC118H89Ir4N14O10-5
Molecular Weight2631.90 g/mol
Exact Mass2632.54
IUPAC Name2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid
SMILESCC(C)(C)C1=N[N-]C(=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=NC(=CC=C2)C3=CC=CC=[C-]3.C1=CC=C([C-]=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)C4=CC=CC=[C-]4.C1=CC=C(C(=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)C4=CC=CC=C4O)O.C1=CC=C(C(=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)C4=CC=CC=C4O)O.C1=CC=NC(=C1)C2=NC(=CC=C2)C(=O)O.C1=CC=NC(=C1)C(=O)O.C1=CC=NC(=C1)C(=O)O.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C22H16N2O2.C22H14N2.C17H11N.C12H14N3.C11H8N2O2.2C6H5NO2.4Ir/c2*25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-3-9-17(10-4-1)19-13-7-15-21(23-19)22-16-8-14-20(24-22)18-11-5-2-6-12-18;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;14-11(15)10-6-3-5-9(13-10)8-4-1-2-7-12-8;2*8-6(9)5-3-1-2-4-7-5;;;;/h2*1-14,25-26H;1-9,11,13-16H;1-8,10,12-13H;4-8H,1-3H3;1-7H,(H,14,15);2*1-4H,(H,8,9);;;;/q;;2*-2;-1;;;;;;;
InChIKeyKRYXWDXORKCVSO-UHFFFAOYSA-N
XLogP—
TPSA361.00 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds1
Heavy Atoms146
Complexity2980

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002631.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid with MolForge

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Related Compounds

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-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 157540889
2-(3,4-Diphenylbenzene-6-id-1-yl)-5-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+);pyridine-2-carboxylic acid
CID 157715994
2,6-Bis[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2,6-bis(2-phenylpropan-2-yl)pyridine);bis(iridium);tris(iridium(3+));2-phenyl-1,10-phenanthroline;tris(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
CID 158017284
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
CID 158094398
CID 158094398
2,6-Bis(2-phenylpropan-2-yl)pyridine;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-[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 158675326
1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium);2-pyrazol-1-ylphenol;pyridine-2-carboxylic acid;pyrrolidin-1-ide-2-carboxylic acid;quinoline-2-carboxylic acid
CID 158851604
2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid
CID 158915930
2,6-Bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;tris(iridium);2-[2-[5-(2-phenylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;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
CID 159009010
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 159109777
Tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]phosphanium;4-hydroxypent-3-en-2-one;tetrakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 159120483

Frequently Asked Questions

What is the IUPAC name of 2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid (CID 157502803) is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid is CC(C)(C)C1=N[N-]C(=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=NC(=CC=C2)C3=CC=CC=[C-]3.C1=CC=C([C-]=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)C4=CC=CC=[C-]4.C1=CC=C(C(=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)C4=CC=CC=C4O)O.C1=CC=C(C(=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)C4=CC=CC=C4O)O.C1=CC=NC(=C1)C2=NC(=CC=C2)C(=O)O.C1=CC=NC(=C1)C(=O)O.C1=CC=NC(=C1)C(=O)O.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid?
The InChIKey is KRYXWDXORKCVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N2O2.C22H14N2.C17H11N.C12H14N3.C11H8N2O2.2C6H5NO2.4Ir/c2*25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-3-9-17(10-4-1)19-13-7-15-21(23-19)22-16-8-14-20(24-22)18-11-5-2-6-12-18;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;14-11(15)10-6-3-5-9(13-10)8-4-1-2-7-12-8;2*8-6(9)5-3-1-2-4-7-5;;;;/h2*1-14,25-26H;1-9,11,13-16H;1-8,10,12-13H;4-8H,1-3H3;1-7H,(H,14,15);2*1-4H,(H,8,9);;;;/q;;2*-2;-1;;;;;;;.
What are the key properties of 2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid?
2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid has a molecular weight of 2631.90 g/mol, XLogP of not available, 1 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-Tert-butylpyrazol-1-id-5-yl)pyridine;2,6-di(phenyl)pyridine;bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(pyridine-2-carboxylic acid);6-pyridin-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 157502803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).