bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol

C112H79Ir4N12O11-5 — CID 159159839

IUPACbis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol
SMILESO=C(O)c1cccc(-c2ccccn2)n1.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccccn1.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.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C22H16N2O2.2C17H11N.C16H12N2O.C16H11N2.C11H8N2O2.C7H5NO4.C6H5NO2.4Ir/c25-21-13-3-1-7-15(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;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;14-11(15)10-6-3-5-9(13-10)8-4-1-2-7-12-8;9-6(10)4-2-1-3-5(8-4)7(11)12;8-6(9)5-3-1-2-4-7-5;;;;/h1-14,25-26H;2*1-8,10,12-13H;1-11,19H;1-7,9-12H;1-7H,(H,14,15);1-3H,(H,9,10)(H,11,12);1-4H,(H,8,9);;;;/q;2*-2;;-1;;;;;;;
InChIKeyHBQYZUHDNZSPCN-UHFFFAOYSA-N
MW2537.80 g/mol
LogP23.14
Rot. Bonds16

About bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol

bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol (PubChem CID 159159839) has the molecular formula C112H79Ir4N12O11-5 and a molecular weight of 2537.80 g/mol. Its IUPAC name is bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol.

Molecular Properties

Compound Namebis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol
PubChem CID159159839
Molecular FormulaC112H79Ir4N12O11-5
Molecular Weight2537.80 g/mol
Exact Mass2539.45
IUPAC Namebis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol
SMILESO=C(O)c1cccc(-c2ccccn2)n1.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccccn1.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.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C22H16N2O2.2C17H11N.C16H12N2O.C16H11N2.C11H8N2O2.C7H5NO4.C6H5NO2.4Ir/c25-21-13-3-1-7-15(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;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;14-11(15)10-6-3-5-9(13-10)8-4-1-2-7-12-8;9-6(10)4-2-1-3-5(8-4)7(11)12;8-6(9)5-3-1-2-4-7-5;;;;/h1-14,25-26H;2*1-8,10,12-13H;1-11,19H;1-7,9-12H;1-7H,(H,14,15);1-3H,(H,9,10)(H,11,12);1-4H,(H,8,9);;;;/q;2*-2;;-1;;;;;;;
InChIKeyHBQYZUHDNZSPCN-UHFFFAOYSA-N
XLogP23.14
TPSA364.57 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002537.80
LogP ≤ 523.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic 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 bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
The IUPAC name of bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol (CID 159159839) is bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol.
What is the SMILES notation for bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
The canonical SMILES for bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol is O=C(O)c1cccc(-c2ccccn2)n1.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccccn1.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.[c-]1ccccc1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
The InChIKey is HBQYZUHDNZSPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2.2C17H11N.C16H12N2O.C16H11N2.C11H8N2O2.C7H5NO4.C6H5NO2.4Ir/c25-21-13-3-1-7-15(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;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;14-11(15)10-6-3-5-9(13-10)8-4-1-2-7-12-8;9-6(10)4-2-1-3-5(8-4)7(11)12;8-6(9)5-3-1-2-4-7-5;;;;/h1-14,25-26H;2*1-8,10,12-13H;1-11,19H;1-7,9-12H;1-7H,(H,14,15);1-3H,(H,9,10)(H,11,12);1-4H,(H,8,9);;;;/q;2*-2;;-1;;;;;;;.
What are the key properties of bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol has a molecular weight of 2537.80 g/mol, XLogP of 23.14, 16 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-di(phenyl)pyridine);2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);2-phenyl-6-pyridin-2-ylpyridine;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;6-pyridin-2-ylpyridine-2-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)phenol is sourced from PubChem (CID 159159839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).