2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol

C33H23IrN3O-2 — CID 135975711

IUPAC2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol
SMILESOc1ccccc1-c1cccc(-c2ccccn2)n1.[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
InChIInChI=1S/C17H11N.C16H12N2O.Ir/c1-3-8-14(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;/h1-8,10,12-13H;1-11,19H;/q-2;;
InChIKeyCRWYEEAMHBGHCY-UHFFFAOYSA-N
MW669.78 g/mol
LogP7.53
Rot. Bonds4

About 2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol

2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol (PubChem CID 135975711) has the molecular formula C33H23IrN3O-2 and a molecular weight of 669.78 g/mol. Its IUPAC name is 2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol.

Molecular Properties

Compound Name2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol
PubChem CID135975711
Molecular FormulaC33H23IrN3O-2
Molecular Weight669.78 g/mol
Exact Mass670.15
IUPAC Name2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol
SMILESOc1ccccc1-c1cccc(-c2ccccn2)n1.[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
InChIInChI=1S/C17H11N.C16H12N2O.Ir/c1-3-8-14(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;/h1-8,10,12-13H;1-11,19H;/q-2;;
InChIKeyCRWYEEAMHBGHCY-UHFFFAOYSA-N
XLogP7.53
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.78
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
Fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 159258322
2-{[Tris(2-pyridyl)methyl]iminomethyl}phenol
CID 136611669
oxo (N,N'-bis(2-hydroxybenzyl)-N-(methyl)-N'-(pyridylmethyl)-1,3-propanodiamine)-vanadium (IV) hemihydrate
CID 139057303
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
[N,N'-Bis(2-oxidobenzyl-kappaO)-N,N'-bis(pyridin-2-ylmethyl-kappaN)ethylenediamine-kappa^2^N,N'](nitrato-kappa^2^O,O')terbium(III)
CID 139087184
ZINC;acetonitrile;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenolate
CID 139131609
2-[[Bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate
CID 139148857
Bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)
CID 139148858
2-[[Bis(pyridin-2-ylmethyl)amino]methyl]phenolate;hydrogen sulfate;oxygen(2-);vanadium(4+)
CID 139150042
Cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
CID 139152391

Frequently Asked Questions

What is the IUPAC name of 2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
The IUPAC name of 2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol (CID 135975711) is 2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol.
What is the SMILES notation for 2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
The canonical SMILES for 2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol is Oc1ccccc1-c1cccc(-c2ccccn2)n1.[Ir].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.
What is the InChIKey of 2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
The InChIKey is CRWYEEAMHBGHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N.C16H12N2O.Ir/c1-3-8-14(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;/h1-8,10,12-13H;1-11,19H;/q-2;;.
What are the key properties of 2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol?
2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol has a molecular weight of 669.78 g/mol, XLogP of 7.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(phenyl)pyridine;iridium;2-(6-pyridin-2-yl-2-pyridinyl)phenol is sourced from PubChem (CID 135975711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).