bis(4-phenylpyridine);trichloroiridium

C22H18Cl3IrN2 — CID 58162878

IUPACbis(4-phenylpyridine);trichloroiridium
SMILESCl[Ir](Cl)Cl.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/2C11H9N.3ClH.Ir/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;;;;/h2*1-9H;3*1H;/q;;;;;+3/p-3
InChIKeyFUUURBYEPFLVML-UHFFFAOYSA-K
MW608.98 g/mol
LogP7.56
Rot. Bonds2

About bis(4-phenylpyridine);trichloroiridium

bis(4-phenylpyridine);trichloroiridium (PubChem CID 58162878) has the molecular formula C22H18Cl3IrN2 and a molecular weight of 608.98 g/mol. Its IUPAC name is bis(4-phenylpyridine);trichloroiridium.

Molecular Properties

Compound Namebis(4-phenylpyridine);trichloroiridium
PubChem CID58162878
Molecular FormulaC22H18Cl3IrN2
Molecular Weight608.98 g/mol
Exact Mass608.02
IUPAC Namebis(4-phenylpyridine);trichloroiridium
SMILESCl[Ir](Cl)Cl.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/2C11H9N.3ClH.Ir/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;;;;/h2*1-9H;3*1H;/q;;;;;+3/p-3
InChIKeyFUUURBYEPFLVML-UHFFFAOYSA-K
XLogP7.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.98
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;4-pyridin-4-ylpyridine
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beryllium;1,1'-biphenyl;hydride
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2,6-diphenyl-4-pyridin-4-ylaniline
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Frequently Asked Questions

What is the IUPAC name of bis(4-phenylpyridine);trichloroiridium?
The IUPAC name of bis(4-phenylpyridine);trichloroiridium (CID 58162878) is bis(4-phenylpyridine);trichloroiridium.
What is the SMILES notation for bis(4-phenylpyridine);trichloroiridium?
The canonical SMILES for bis(4-phenylpyridine);trichloroiridium is Cl[Ir](Cl)Cl.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.
What is the InChIKey of bis(4-phenylpyridine);trichloroiridium?
The InChIKey is FUUURBYEPFLVML-UHFFFAOYSA-K. The full InChI is InChI=1S/2C11H9N.3ClH.Ir/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;;;;/h2*1-9H;3*1H;/q;;;;;+3/p-3.
What are the key properties of bis(4-phenylpyridine);trichloroiridium?
bis(4-phenylpyridine);trichloroiridium has a molecular weight of 608.98 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-phenylpyridine);trichloroiridium is sourced from PubChem (CID 58162878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).