bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole

C21H14F3Ir2N3-2 — CID 160529922

IUPACbis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
SMILESFC(F)(F)c1c[c-]c(-n2cccn2)cc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C10H6F3N2.2Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;;/h1-6,8-9H;1-4,6-7H;;/q2*-1;;
InChIKeyHDPIJLWSUNJNCT-UHFFFAOYSA-N
MW749.79 g/mol
LogP5.24
Rot. Bonds2

About bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole

bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole (PubChem CID 160529922) has the molecular formula C21H14F3Ir2N3-2 and a molecular weight of 749.79 g/mol. Its IUPAC name is bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole.

Molecular Properties

Compound Namebis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
PubChem CID160529922
Molecular FormulaC21H14F3Ir2N3-2
Molecular Weight749.79 g/mol
Exact Mass751.04
IUPAC Namebis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
SMILESFC(F)(F)c1c[c-]c(-n2cccn2)cc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C10H6F3N2.2Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;;/h1-6,8-9H;1-4,6-7H;;/q2*-1;;
InChIKeyHDPIJLWSUNJNCT-UHFFFAOYSA-N
XLogP5.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.79
LogP ≤ 55.24
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

carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine
CID 58965563
iridium;tris(2-phenylpyridine)
CID 23386734
2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;2-phenylpyridine
CID 162483808
iridium;4-methyl-3-phenyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine
CID 168822117
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine
CID 58991687
3-(3,5-dimethylphenyl)-1-(4-phenylbenzene-6-id-1-yl)pyrazole;iridium;2-phenylpyridine
CID 170539590
chlorozinc(1+);2-phenylpyridine
CID 59773311
2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
CID 10963599
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
3-(3,5-dimethylphenyl)-1-phenylpyrazole;iridium;2-phenylpyridine
CID 170539583
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235

Frequently Asked Questions

What is the IUPAC name of bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The IUPAC name of bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole (CID 160529922) is bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole.
What is the SMILES notation for bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The canonical SMILES for bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole is FC(F)(F)c1c[c-]c(-n2cccn2)cc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The InChIKey is HDPIJLWSUNJNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N.C10H6F3N2.2Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;;/h1-6,8-9H;1-4,6-7H;;/q2*-1;;.
What are the key properties of bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole has a molecular weight of 749.79 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole is sourced from PubChem (CID 160529922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).