dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine

C19H32IrN2P- — CID 162283623

IUPACdimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine
SMILESCC.CC.C[N-]C[PH+](C)C.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C4H11NP.2C2H6.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-5-4-6(2)3;2*1-2;/h1-6,8-9H;4H2,1-3H3;2*1-2H3;/q2*-1;;;/p+1
InChIKeyXISKJTAKCNNEDX-UHFFFAOYSA-O
MW511.67 g/mol
LogP6.02
Rot. Bonds3

About dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine

dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine (PubChem CID 162283623) has the molecular formula C19H32IrN2P- and a molecular weight of 511.67 g/mol. Its IUPAC name is dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine.

Molecular Properties

Compound Namedimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine
PubChem CID162283623
Molecular FormulaC19H32IrN2P-
Molecular Weight511.67 g/mol
Exact Mass512.19
IUPAC Namedimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine
SMILESCC.CC.C[N-]C[PH+](C)C.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C4H11NP.2C2H6.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-5-4-6(2)3;2*1-2;/h1-6,8-9H;4H2,1-3H3;2*1-2H3;/q2*-1;;;/p+1
InChIKeyXISKJTAKCNNEDX-UHFFFAOYSA-O
XLogP6.02
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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CID 54698144

Frequently Asked Questions

What is the IUPAC name of dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine?
The IUPAC name of dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine (CID 162283623) is dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine.
What is the SMILES notation for dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine?
The canonical SMILES for dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine is CC.CC.C[N-]C[PH+](C)C.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine?
The InChIKey is XISKJTAKCNNEDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H8N.C4H11NP.2C2H6.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-5-4-6(2)3;2*1-2;/h1-6,8-9H;4H2,1-3H3;2*1-2H3;/q2*-1;;;/p+1.
What are the key properties of dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine?
dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine has a molecular weight of 511.67 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphaniumylmethyl(methyl)azanide;ethane;iridium;2-phenylpyridine is sourced from PubChem (CID 162283623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).