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

C151H110Ir5N17O11-7 — CID 157050076

IUPAC2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol
SMILESCC(C)(C)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5O)n4)n3)c2O)n1.O=C(O)c1cccc(-c2ccccn2)n1.O=C(O)c1ccccn1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cccc(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2cccc(-c3[c-]cccc3)n2)n1
InChIInChI=1S/C28H19N3O4.C22H16N2O2.C22H14N2.2C17H11N.C16H12N2O.C12H14N3.C11H8N2O2.C6H5NO2.5Ir/c32-26-16-2-1-7-17(26)20-10-4-13-23(29-20)24-14-5-11-21(30-24)18-8-3-9-19(27(18)33)22-12-6-15-25(31-22)28(34)35;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;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;19-16-10-2-1-6-12(16)13-8-5-9-15(18-13)14-7-3-4-11-17-14;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;8-6(9)5-3-1-2-4-7-5;;;;;/h1-16,32-33H,(H,34,35);1-14,25-26H;1-9,11,13-16H;2*1-8,10,12-13H;1-11,19H;4-8H,1-3H3;1-7H,(H,14,15);1-4H,(H,8,9);;;;;/q;;3*-2;;-1;;;;;;;
InChIKeyJUYYHWDYMLKAHU-UHFFFAOYSA-N
MW3299.73 g/mol
LogP32.17
Rot. Bonds21

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

2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol (PubChem CID 157050076) has the molecular formula C151H110Ir5N17O11-7 and a molecular weight of 3299.73 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol
PubChem CID157050076
Molecular FormulaC151H110Ir5N17O11-7
Molecular Weight3299.73 g/mol
Exact Mass3301.68
IUPAC Name2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol
SMILESCC(C)(C)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5O)n4)n3)c2O)n1.O=C(O)c1cccc(-c2ccccn2)n1.O=C(O)c1ccccn1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cccc(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2cccc(-c3[c-]cccc3)n2)n1
InChIInChI=1S/C28H19N3O4.C22H16N2O2.C22H14N2.2C17H11N.C16H12N2O.C12H14N3.C11H8N2O2.C6H5NO2.5Ir/c32-26-16-2-1-7-17(26)20-10-4-13-23(29-20)24-14-5-11-21(30-24)18-8-3-9-19(27(18)33)22-12-6-15-25(31-22)28(34)35;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;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;19-16-10-2-1-6-12(16)13-8-5-9-15(18-13)14-7-3-4-11-17-14;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;8-6(9)5-3-1-2-4-7-5;;;;;/h1-16,32-33H,(H,34,35);1-14,25-26H;1-9,11,13-16H;2*1-8,10,12-13H;1-11,19H;4-8H,1-3H3;1-7H,(H,14,15);1-4H,(H,8,9);;;;;/q;;3*-2;;-1;;;;;;;
InChIKeyJUYYHWDYMLKAHU-UHFFFAOYSA-N
XLogP32.17
TPSA433.39 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms184
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003299.73
LogP ≤ 532.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
The IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol (CID 157050076) is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol.
What is the SMILES notation for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
The canonical SMILES for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol is CC(C)(C)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5O)n4)n3)c2O)n1.O=C(O)c1cccc(-c2ccccn2)n1.O=C(O)c1ccccn1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cccc(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.
What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
The InChIKey is JUYYHWDYMLKAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O4.C22H16N2O2.C22H14N2.2C17H11N.C16H12N2O.C12H14N3.C11H8N2O2.C6H5NO2.5Ir/c32-26-16-2-1-7-17(26)20-10-4-13-23(29-20)24-14-5-11-21(30-24)18-8-3-9-19(27(18)33)22-12-6-15-25(31-22)28(34)35;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;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;19-16-10-2-1-6-12(16)13-8-5-9-15(18-13)14-7-3-4-11-17-14;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;8-6(9)5-3-1-2-4-7-5;;;;;/h1-16,32-33H,(H,34,35);1-14,25-26H;1-9,11,13-16H;2*1-8,10,12-13H;1-11,19H;4-8H,1-3H3;1-7H,(H,14,15);1-4H,(H,8,9);;;;;/q;;3*-2;;-1;;;;;;;.
What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol has a molecular weight of 3299.73 g/mol, XLogP of 32.17, 21 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);6-[2-hydroxy-3-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyridine-2-carboxylic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;pentakis(iridium);2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol is sourced from PubChem (CID 157050076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).