10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine

C22H15IrN3-2 — CID 58517476

IUPAC10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine
SMILES[Ir].[c-]1cccc2ccn3ccnc3c12.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H7N2.C11H8N.Ir/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-3,5-8H;1-6,8-9H;/q2*-1;
InChIKeyAFQAGFGKYDIJGZ-UHFFFAOYSA-N
MW513.60 g/mol
LogP4.83
Rot. Bonds1

About 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine

10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine (PubChem CID 58517476) has the molecular formula C22H15IrN3-2 and a molecular weight of 513.60 g/mol. Its IUPAC name is 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine.

Molecular Properties

Compound Name10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine
PubChem CID58517476
Molecular FormulaC22H15IrN3-2
Molecular Weight513.60 g/mol
Exact Mass514.09
IUPAC Name10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine
SMILES[Ir].[c-]1cccc2ccn3ccnc3c12.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H7N2.C11H8N.Ir/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-3,5-8H;1-6,8-9H;/q2*-1;
InChIKeyAFQAGFGKYDIJGZ-UHFFFAOYSA-N
XLogP4.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 54.83
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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Frequently Asked Questions

What is the IUPAC name of 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine?
The IUPAC name of 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine (CID 58517476) is 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine.
What is the SMILES notation for 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine?
The canonical SMILES for 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine is [Ir].[c-]1cccc2ccn3ccnc3c12.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine?
The InChIKey is AFQAGFGKYDIJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N2.C11H8N.Ir/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-3,5-8H;1-6,8-9H;/q2*-1;.
What are the key properties of 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine?
10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine has a molecular weight of 513.60 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-phenylpyridine is sourced from PubChem (CID 58517476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).