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

C36H24F9IrN3+3 — CID 22184116

IUPACiridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine)
SMILESFC(F)(F)c1cccc(-c2ccccn2)c1.FC(F)(F)c1cccc(-c2ccccn2)c1.FC(F)(F)c1cccc(-c2ccccn2)c1.[Ir+3]
InChIInChI=1S/3C12H8F3N.Ir/c3*13-12(14,15)10-5-3-4-9(8-10)11-6-1-2-7-16-11;/h3*1-8H;/q;;;+3
InChIKeyPRJNDAVAFWAPBR-UHFFFAOYSA-N
MW861.81 g/mol
LogP11.30
Rot. Bonds3

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

iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine) (PubChem CID 22184116) has the molecular formula C36H24F9IrN3+3 and a molecular weight of 861.81 g/mol. Its IUPAC name is iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine).

Molecular Properties

Compound Nameiridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine)
PubChem CID22184116
Molecular FormulaC36H24F9IrN3+3
Molecular Weight861.81 g/mol
Exact Mass862.14
IUPAC Nameiridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine)
SMILESFC(F)(F)c1cccc(-c2ccccn2)c1.FC(F)(F)c1cccc(-c2ccccn2)c1.FC(F)(F)c1cccc(-c2ccccn2)c1.[Ir+3]
InChIInChI=1S/3C12H8F3N.Ir/c3*13-12(14,15)10-5-3-4-9(8-10)11-6-1-2-7-16-11;/h3*1-8H;/q;;;+3
InChIKeyPRJNDAVAFWAPBR-UHFFFAOYSA-N
XLogP11.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.81
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Anabasamine
CID 161313
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
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308

Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine)?
The IUPAC name of iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine) (CID 22184116) is iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine).
What is the SMILES notation for iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine)?
The canonical SMILES for iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine) is FC(F)(F)c1cccc(-c2ccccn2)c1.FC(F)(F)c1cccc(-c2ccccn2)c1.FC(F)(F)c1cccc(-c2ccccn2)c1.[Ir+3].
What is the InChIKey of iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine)?
The InChIKey is PRJNDAVAFWAPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8F3N.Ir/c3*13-12(14,15)10-5-3-4-9(8-10)11-6-1-2-7-16-11;/h3*1-8H;/q;;;+3.
What are the key properties of iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine)?
iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine) has a molecular weight of 861.81 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);tris(2-[3-(trifluoromethyl)phenyl]pyridine) is sourced from PubChem (CID 22184116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).