tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)

C36H21F12IrN3+3 — CID 22184111

IUPACtris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)
SMILESFc1ccc(-c2ccccn2)cc1C(F)(F)F.Fc1ccc(-c2ccccn2)cc1C(F)(F)F.Fc1ccc(-c2ccccn2)cc1C(F)(F)F.[Ir+3]
InChIInChI=1S/3C12H7F4N.Ir/c3*13-10-5-4-8(7-9(10)12(14,15)16)11-3-1-2-6-17-11;/h3*1-7H;/q;;;+3
InChIKeyXQVMSSADZMOERM-UHFFFAOYSA-N
MW915.78 g/mol
LogP11.72
Rot. Bonds3

About tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)

tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+) (PubChem CID 22184111) has the molecular formula C36H21F12IrN3+3 and a molecular weight of 915.78 g/mol. Its IUPAC name is tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+).

Molecular Properties

Compound Nametris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)
PubChem CID22184111
Molecular FormulaC36H21F12IrN3+3
Molecular Weight915.78 g/mol
Exact Mass916.12
IUPAC Nametris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)
SMILESFc1ccc(-c2ccccn2)cc1C(F)(F)F.Fc1ccc(-c2ccccn2)cc1C(F)(F)F.Fc1ccc(-c2ccccn2)cc1C(F)(F)F.[Ir+3]
InChIInChI=1S/3C12H7F4N.Ir/c3*13-10-5-4-8(7-9(10)12(14,15)16)11-3-1-2-6-17-11;/h3*1-7H;/q;;;+3
InChIKeyXQVMSSADZMOERM-UHFFFAOYSA-N
XLogP11.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.78
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
CID 10384086
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11530663
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11632351
3-(2,6-Difluorophenyl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646612
3-(3,5-Difluoropyridin-2-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646630
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-fluoropyridin-4-yl)pyridazine
CID 11653463
3-(3,5-Difluoropyridin-4-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11717884
2,5-Dipyridin-2-ylpyridine
CID 4580671
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443

Frequently Asked Questions

What is the IUPAC name of tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)?
The IUPAC name of tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+) (CID 22184111) is tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+).
What is the SMILES notation for tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)?
The canonical SMILES for tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+) is Fc1ccc(-c2ccccn2)cc1C(F)(F)F.Fc1ccc(-c2ccccn2)cc1C(F)(F)F.Fc1ccc(-c2ccccn2)cc1C(F)(F)F.[Ir+3].
What is the InChIKey of tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)?
The InChIKey is XQVMSSADZMOERM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H7F4N.Ir/c3*13-10-5-4-8(7-9(10)12(14,15)16)11-3-1-2-6-17-11;/h3*1-7H;/q;;;+3.
What are the key properties of tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)?
tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+) has a molecular weight of 915.78 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+) is sourced from PubChem (CID 22184111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).