iridium;tris(2-phenylpyridine)

C33H24IrN3-3 — CID 23386734

IUPACiridium;tris(2-phenylpyridine)
SMILES[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/3C11H8N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-6,8-9H;/q3*-1;
InChIKeyJAZWLEYGTKXZCJ-UHFFFAOYSA-N
MW654.79 g/mol
LogP7.64
Rot. Bonds3

About iridium;tris(2-phenylpyridine)

iridium;tris(2-phenylpyridine) (PubChem CID 23386734) has the molecular formula C33H24IrN3-3 and a molecular weight of 654.79 g/mol. Its IUPAC name is iridium;tris(2-phenylpyridine).

Molecular Properties

Compound Nameiridium;tris(2-phenylpyridine)
PubChem CID23386734
Molecular FormulaC33H24IrN3-3
Molecular Weight654.79 g/mol
Exact Mass655.16
IUPAC Nameiridium;tris(2-phenylpyridine)
SMILES[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/3C11H8N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-6,8-9H;/q3*-1;
InChIKeyJAZWLEYGTKXZCJ-UHFFFAOYSA-N
XLogP7.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.79
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 54724512
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CID 10963599
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CID 168726074
3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine
CID 23526288
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine
CID 153468232
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CID 172511088

Frequently Asked Questions

What is the IUPAC name of iridium;tris(2-phenylpyridine)?
The IUPAC name of iridium;tris(2-phenylpyridine) (CID 23386734) is iridium;tris(2-phenylpyridine).
What is the SMILES notation for iridium;tris(2-phenylpyridine)?
The canonical SMILES for iridium;tris(2-phenylpyridine) is [Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;tris(2-phenylpyridine)?
The InChIKey is JAZWLEYGTKXZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H8N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-6,8-9H;/q3*-1;.
What are the key properties of iridium;tris(2-phenylpyridine)?
iridium;tris(2-phenylpyridine) has a molecular weight of 654.79 g/mol, XLogP of 7.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;tris(2-phenylpyridine) is sourced from PubChem (CID 23386734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).