(2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium)

C12H37IrNO3P3+6 — CID 6369264

IUPAC(2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium)
SMILESC[PH+](C)C.C[PH+](C)C.C[PH+](C)C.[Ir+3].[NH-]C(CO)C(=O)[OH2+]
InChIInChI=1S/C3H6NO3.3C3H9P.Ir/c4-2(1-5)3(6)7;3*1-4(2)3;/h2,4-5H,1H2,(H,6,7);3*1-3H3;/q-1;;;;+3/p+4
InChIKeyOWDCAOLTJRMASF-UHFFFAOYSA-R
MW528.57 g/mol
LogP1.92
Rot. Bonds2

About (2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium)

(2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium) (PubChem CID 6369264) has the molecular formula C12H37IrNO3P3+6 and a molecular weight of 528.57 g/mol. Its IUPAC name is (2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium).

Molecular Properties

Compound Name(2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium)
PubChem CID6369264
Molecular FormulaC12H37IrNO3P3+6
Molecular Weight528.57 g/mol
Exact Mass529.16
IUPAC Name(2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium)
SMILESC[PH+](C)C.C[PH+](C)C.C[PH+](C)C.[Ir+3].[NH-]C(CO)C(=O)[OH2+]
InChIInChI=1S/C3H6NO3.3C3H9P.Ir/c4-2(1-5)3(6)7;3*1-4(2)3;/h2,4-5H,1H2,(H,6,7);3*1-3H3;/q-1;;;;+3/p+4
InChIKeyOWDCAOLTJRMASF-UHFFFAOYSA-R
XLogP1.92
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium)?
The IUPAC name of (2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium) (CID 6369264) is (2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium).
What is the SMILES notation for (2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium)?
The canonical SMILES for (2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium) is C[PH+](C)C.C[PH+](C)C.C[PH+](C)C.[Ir+3].[NH-]C(CO)C(=O)[OH2+].
What is the InChIKey of (2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium)?
The InChIKey is OWDCAOLTJRMASF-UHFFFAOYSA-R. The full InChI is InChI=1S/C3H6NO3.3C3H9P.Ir/c4-2(1-5)3(6)7;3*1-4(2)3;/h2,4-5H,1H2,(H,6,7);3*1-3H3;/q-1;;;;+3/p+4.
What are the key properties of (2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium)?
(2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium) has a molecular weight of 528.57 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-oxoniocarbonylethyl)azanide;iridium(3+);tris(trimethylphosphanium) is sourced from PubChem (CID 6369264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).