3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine

C41H28IrNOP-2 — CID 164702155

IUPAC3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine
SMILESO=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C30H20OP.C11H8N.Ir/c31-32(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-17,19-21H;1-6,8-9H;/q2*-1;
InChIKeyNMDAIMHRGFTFQB-UHFFFAOYSA-N
MW773.87 g/mol
LogP9.13
Rot. Bonds4

About 3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine

3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine (PubChem CID 164702155) has the molecular formula C41H28IrNOP-2 and a molecular weight of 773.87 g/mol. Its IUPAC name is 3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine.

Molecular Properties

Compound Name3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine
PubChem CID164702155
Molecular FormulaC41H28IrNOP-2
Molecular Weight773.87 g/mol
Exact Mass774.15
IUPAC Name3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine
SMILESO=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C30H20OP.C11H8N.Ir/c31-32(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-17,19-21H;1-6,8-9H;/q2*-1;
InChIKeyNMDAIMHRGFTFQB-UHFFFAOYSA-N
XLogP9.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.87
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-pyridin-2-ylbenzimidazol-1-ide
CID 164702110
2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium
CID 164702145
iridium;tris(2-phenylpyridine)
CID 23386734
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
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CID 58163235
chlorozinc(1+);2-phenylpyridine
CID 59773311
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
potassium;3-diphenylphosphoryl-2H-naphthalen-2-ide;2-(3-diphenylphosphorylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);oxido-oxidooxy-oxophosphanium;bis(2-phenylpyridine);potassiopotassium;propan-2-ol;trifluoromethanesulfonic acid
CID 163978923
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
CID 10963599

Frequently Asked Questions

What is the IUPAC name of 3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine?
The IUPAC name of 3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine (CID 164702155) is 3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine.
What is the SMILES notation for 3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine?
The canonical SMILES for 3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine is O=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine?
The InChIKey is NMDAIMHRGFTFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20OP.C11H8N.Ir/c31-32(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-17,19-21H;1-6,8-9H;/q2*-1;.
What are the key properties of 3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine?
3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine has a molecular weight of 773.87 g/mol, XLogP of 9.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium;2-phenylpyridine is sourced from PubChem (CID 164702155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).