iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine

C25H16F3IrN3-2 — CID 58725439

IUPACiridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESFC(F)(F)c1nc(-c2[c-]cccc2)c2ccccn12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H8F3N2.C11H8N.Ir/c15-14(16,17)13-18-12(10-6-2-1-3-7-10)11-8-4-5-9-19(11)13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8-9H;1-6,8-9H;/q2*-1;
InChIKeyRJQXHXZMEWFEMS-UHFFFAOYSA-N
MW607.64 g/mol
LogP6.37
Rot. Bonds2

About iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine

iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine (PubChem CID 58725439) has the molecular formula C25H16F3IrN3-2 and a molecular weight of 607.64 g/mol. Its IUPAC name is iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine
PubChem CID58725439
Molecular FormulaC25H16F3IrN3-2
Molecular Weight607.64 g/mol
Exact Mass608.09
IUPAC Nameiridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESFC(F)(F)c1nc(-c2[c-]cccc2)c2ccccn12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H8F3N2.C11H8N.Ir/c15-14(16,17)13-18-12(10-6-2-1-3-7-10)11-8-4-5-9-19(11)13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8-9H;1-6,8-9H;/q2*-1;
InChIKeyRJQXHXZMEWFEMS-UHFFFAOYSA-N
XLogP6.37
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.64
LogP ≤ 56.37
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 iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The IUPAC name of iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine (CID 58725439) is iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine is FC(F)(F)c1nc(-c2[c-]cccc2)c2ccccn12.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The InChIKey is RJQXHXZMEWFEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N2.C11H8N.Ir/c15-14(16,17)13-18-12(10-6-2-1-3-7-10)11-8-4-5-9-19(11)13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8-9H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine has a molecular weight of 607.64 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 58725439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).