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

C123H93Ir4N14O9-5 — CID 158541732

About 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);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);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol (PubChem CID 158541732) has the molecular formula C123H93Ir4N14O9-5 and a molecular weight of 2680.05 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol.

Molecular Properties

• Compound Name: 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol
• PubChem CID: 158541732
• Molecular Formula: C123H93Ir4N14O9-5
• Molecular Weight: 2680.05 g/mol
• Exact Mass: 2681.58
• IUPAC Name: 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol
• SMILES: CC(C)(C)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1cccc(-c2ccccn2)n1.O=C(O)c1ccccn1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cccc(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
• InChI: InChI=1S/2C22H16N2O2.2C17H11N.C16H12N2O.C12H14N3.C11H8N2O2.C6H5NO2.4Ir/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;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;;;;/h2*1-14,25-26H;2*1-8,10,12-13H;1-11,19H;4-8H,1-3H3;1-7H,(H,14,15);1-4H,(H,8,9);;;;/q;;2*-2;;-1
• InChIKey: KSEMDTOUZQLKAX-UHFFFAOYSA-N
• XLogP: 26.34
• TPSA: 357.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2680.05
LogP ≤ 5	26.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);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);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol (CID 158541732) is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);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);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);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);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);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(-c2ccccn2)n1.O=C(O)c1ccccn1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cccc(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.

What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol?

The InChIKey is KSEMDTOUZQLKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N2O2.2C17H11N.C16H12N2O.C12H14N3.C11H8N2O2.C6H5NO2.4Ir/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;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;;;;/h2*1-14,25-26H;2*1-8,10,12-13H;1-11,19H;4-8H,1-3H3;1-7H,(H,14,15);1-4H,(H,8,9);;;;/q;;2*-2;;-1;;;;;;.

What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;bis(2,6-di(phenyl)pyridine);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);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);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol has a molecular weight of 2680.05 g/mol, XLogP of 26.34, 16 rotatable bonds, 7 hydrogen bond donors, and 20 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);bis(2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol);tetrakis(iridium);pyridine-2-carboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol is sourced from PubChem (CID 158541732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).