diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine)

C46H37IrN3O2P2-2 — CID 139242615

IUPACdiphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine)
SMILESO=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H21NO2P2.2C11H8N.Ir/c26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-20,26H;2*1-6,8-9H;/q;2*-1;
InChIKeyUCIVZMGSJNQEHO-UHFFFAOYSA-N
MW917.99 g/mol
LogP9.77
Rot. Bonds7

About diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine)

diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine) (PubChem CID 139242615) has the molecular formula C46H37IrN3O2P2-2 and a molecular weight of 917.99 g/mol. Its IUPAC name is diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine).

Molecular Properties

Compound Namediphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine)
PubChem CID139242615
Molecular FormulaC46H37IrN3O2P2-2
Molecular Weight917.99 g/mol
Exact Mass918.20
IUPAC Namediphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine)
SMILESO=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H21NO2P2.2C11H8N.Ir/c26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-20,26H;2*1-6,8-9H;/q;2*-1;
InChIKeyUCIVZMGSJNQEHO-UHFFFAOYSA-N
XLogP9.77
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.99
LogP ≤ 59.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 71520373
2-[Bis(diphenylphosphoryl)methyl]pyridine
CID 1900770
Ir(ppy)3
CID 11388194
N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine
CID 71520372
N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 71520487
N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine
CID 71719150
2-(Bis(diphenylphosphanyl)methyl)pyridine
CID 15398914
Iridium;tris(2-phenylpyridine)
CID 71433583
Diphenylphosphorylimino-hydroxy-diphenyl-lambda5-phosphane;iridium;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)
CID 139242613
Dichlororuthenium; 4-diphenylphosphanylbutyl(diphenyl)phosphane; 2-(2-pyridyl)pyridine
CID 12028300
6-Diphenylphosphinomethyl-2,2'-bipyridine
CID 69790289
2-(2-Diphenylphosphorylphenyl)pyridine
CID 89051467

Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine)?
The IUPAC name of diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine) (CID 139242615) is diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine).
What is the SMILES notation for diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine)?
The canonical SMILES for diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine) is O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine)?
The InChIKey is UCIVZMGSJNQEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2P2.2C11H8N.Ir/c26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-20,26H;2*1-6,8-9H;/q;2*-1;.
What are the key properties of diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine)?
diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine) has a molecular weight of 917.99 g/mol, XLogP of 9.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium;bis(2-phenylpyridine) is sourced from PubChem (CID 139242615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).