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

C33H24IrN3O2- — CID 135975717

IUPAC2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine
SMILESOc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C22H16N2O2.C11H8N.Ir/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;
InChIKeyLKVJWUZPWJSTOO-UHFFFAOYSA-N
MW686.79 g/mol
LogP7.44
Rot. Bonds4

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

2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine (PubChem CID 135975717) has the molecular formula C33H24IrN3O2- and a molecular weight of 686.79 g/mol. Its IUPAC name is 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine
PubChem CID135975717
Molecular FormulaC33H24IrN3O2-
Molecular Weight686.79 g/mol
Exact Mass687.15
IUPAC Name2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine
SMILESOc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C22H16N2O2.C11H8N.Ir/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;
InChIKeyLKVJWUZPWJSTOO-UHFFFAOYSA-N
XLogP7.44
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.79
LogP ≤ 57.44
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
2,6-Bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol
CID 11756790
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-(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-((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
(2s,6s)-2,6-Bis(o-hydroxyphenyl)-1-(2-pyridylmethyl)piperidine
CID 16751393
2-[6-(2-Hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol
CID 73321752

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine?
The IUPAC name of 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine (CID 135975717) is 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine.
What is the SMILES notation for 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine?
The canonical SMILES for 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine is Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine?
The InChIKey is LKVJWUZPWJSTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2.C11H8N.Ir/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?
2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium;2-phenylpyridine has a molecular weight of 686.79 g/mol, XLogP of 7.44, 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 is sourced from PubChem (CID 135975717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).