2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum

C33H24IrN3O2Pt- — CID 161171950

IUPAC2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum
SMILESOc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Ir].[Pt].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C22H16N2O2.C11H8N.Ir.Pt/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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-14,25-26H;1-6,8-9H;;/q;-1;;
InChIKeyLGKFTDMBUFSYHP-UHFFFAOYSA-N
MW881.87 g/mol
LogP7.43
Rot. Bonds4

About 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum

2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum (PubChem CID 161171950) has the molecular formula C33H24IrN3O2Pt- and a molecular weight of 881.87 g/mol. Its IUPAC name is 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum.

Molecular Properties

Compound Name2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum
PubChem CID161171950
Molecular FormulaC33H24IrN3O2Pt-
Molecular Weight881.87 g/mol
Exact Mass882.12
IUPAC Name2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum
SMILESOc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Ir].[Pt].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C22H16N2O2.C11H8N.Ir.Pt/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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-14,25-26H;1-6,8-9H;;/q;-1;;
InChIKeyLGKFTDMBUFSYHP-UHFFFAOYSA-N
XLogP7.43
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.87
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091035
2-[6-(2-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091040
Dicopper;bis(2-[[[2-hydroxy-3-(trifluoromethyl)phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-6-(trifluoromethyl)phenolate);diacetate
CID 139170910
2-[[2-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15493502
Platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
CID 58004339
2-[[3-[4-Methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
CID 58620926
2-(2,4-Difluorobenzene-6-id-1-yl)-6-[4-(phenoxy)-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine;iridium;phenol
CID 58621418
Fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 159258322
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-2-phenylpyridin-4-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 160281922
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-2-phenylpyridin-4-amine;4-hydroxypent-3-en-2-one;bis(iridium);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 162218707
2-((Bis(pyridin-2-ylmethyl)amino)methyl)-6-(((2-hydroxybenzyl)(pyridin-2-ylmethyl)amino)methyl)-4-methylphenol
CID 11445866
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]-1,2-diphenylethyl]-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 11520037

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum?
The IUPAC name of 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum (CID 161171950) is 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum.
What is the SMILES notation for 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum?
The canonical SMILES for 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum is Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Ir].[Pt].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum?
The InChIKey is LGKFTDMBUFSYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2.C11H8N.Ir.Pt/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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-14,25-26H;1-6,8-9H;;/q;-1;;.
What are the key properties of 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum?
2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum has a molecular weight of 881.87 g/mol, XLogP of 7.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine;platinum is sourced from PubChem (CID 161171950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).