iridium;tris(2-phenylpyridine)

C33H27IrN3 — CID 45358635

IUPACiridium;tris(2-phenylpyridine)
SMILES[Ir].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/3C11H9N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-9H;
InChIKeyUEEXRMUCXBPYOV-UHFFFAOYSA-N
MW657.82 g/mol
LogP8.24
Rot. Bonds3

About iridium;tris(2-phenylpyridine)

iridium;tris(2-phenylpyridine) (PubChem CID 45358635) has the molecular formula C33H27IrN3 and a molecular weight of 657.82 g/mol. Its IUPAC name is iridium;tris(2-phenylpyridine).

Molecular Properties

Compound Nameiridium;tris(2-phenylpyridine)
PubChem CID45358635
Molecular FormulaC33H27IrN3
Molecular Weight657.82 g/mol
Exact Mass658.18
IUPAC Nameiridium;tris(2-phenylpyridine)
SMILES[Ir].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/3C11H9N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-9H;
InChIKeyUEEXRMUCXBPYOV-UHFFFAOYSA-N
XLogP8.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of iridium;tris(2-phenylpyridine)?
The IUPAC name of iridium;tris(2-phenylpyridine) (CID 45358635) 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].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.
What is the InChIKey of iridium;tris(2-phenylpyridine)?
The InChIKey is UEEXRMUCXBPYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H9N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-9H;.
What are the key properties of iridium;tris(2-phenylpyridine)?
iridium;tris(2-phenylpyridine) has a molecular weight of 657.82 g/mol, XLogP of 8.24, 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 45358635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).