iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium

C22H14IrN2O2P- — CID 58106896

IUPACiridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium
SMILESO=[P+](c1cccc(Oc2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C22H14N2O2P.Ir/c25-27(21-15-7-13-19(23-21)17-9-3-1-4-10-17)22-16-8-14-20(24-22)26-18-11-5-2-6-12-18;/h1-9,11,13-16H;/q-1;
InChIKeyZALRZVMOGTXIDO-UHFFFAOYSA-N
MW561.56 g/mol
LogP4.31
Rot. Bonds5

About iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium

iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium (PubChem CID 58106896) has the molecular formula C22H14IrN2O2P- and a molecular weight of 561.56 g/mol. Its IUPAC name is iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium.

Molecular Properties

Compound Nameiridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium
PubChem CID58106896
Molecular FormulaC22H14IrN2O2P-
Molecular Weight561.56 g/mol
Exact Mass562.04
IUPAC Nameiridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium
SMILESO=[P+](c1cccc(Oc2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C22H14N2O2P.Ir/c25-27(21-15-7-13-19(23-21)17-9-3-1-4-10-17)22-16-8-14-20(24-22)26-18-11-5-2-6-12-18;/h1-9,11,13-16H;/q-1;
InChIKeyZALRZVMOGTXIDO-UHFFFAOYSA-N
XLogP4.31
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-[6-[[6-[2-fluoro-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]oxy]-2-pyridinyl]-6-(trifluoromethyl)-4H-pyridin-4-ide;platinum(2+)
CID 57615570
3-[6-[[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)
CID 57615549
CID 57806497
CID 57806497
CID 57936831
CID 57936831
CID 57936973
CID 57936973
CID 57936999
CID 57936999
Iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine
CID 58106963
2-(2,4-Difluorobenzene-6-id-1-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;platinum(2+)
CID 58709092
2-(Phenoxy)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;platinum(2+)
CID 58870978
2-Phenyl-6-[(6-phenyl-2-pyridinyl)oxy]pyridine;platinum(2+)
CID 58871006
2-Phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridine;platinum(2+)
CID 58871015
2-(Phenoxy)-6-(6-phenyl-2-pyridinyl)pyridine;platinum(2+)
CID 58871072

Frequently Asked Questions

What is the IUPAC name of iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium?
The IUPAC name of iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium (CID 58106896) is iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium.
What is the SMILES notation for iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium?
The canonical SMILES for iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium is O=[P+](c1cccc(Oc2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[Ir].
What is the InChIKey of iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium?
The InChIKey is ZALRZVMOGTXIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2P.Ir/c25-27(21-15-7-13-19(23-21)17-9-3-1-4-10-17)22-16-8-14-20(24-22)26-18-11-5-2-6-12-18;/h1-9,11,13-16H;/q-1;.
What are the key properties of iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium?
iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium has a molecular weight of 561.56 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;oxo-[6-(phenoxy)-2-pyridinyl]-(6-phenyl-2-pyridinyl)phosphanium is sourced from PubChem (CID 58106896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).