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

C36H21Cl3F9IrN3+3 — CID 22184121

IUPACtris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)
SMILESFC(F)(F)c1cc(-c2ccccn2)ccc1Cl.FC(F)(F)c1cc(-c2ccccn2)ccc1Cl.FC(F)(F)c1cc(-c2ccccn2)ccc1Cl.[Ir+3]
InChIInChI=1S/3C12H7ClF3N.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
InChIKeyDTGNPFUWMJMCPD-UHFFFAOYSA-N
MW965.14 g/mol
LogP13.26
Rot. Bonds3

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

tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+) (PubChem CID 22184121) has the molecular formula C36H21Cl3F9IrN3+3 and a molecular weight of 965.14 g/mol. Its IUPAC name is tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+).

Molecular Properties

Compound Nametris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)
PubChem CID22184121
Molecular FormulaC36H21Cl3F9IrN3+3
Molecular Weight965.14 g/mol
Exact Mass964.03
IUPAC Nametris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)
SMILESFC(F)(F)c1cc(-c2ccccn2)ccc1Cl.FC(F)(F)c1cc(-c2ccccn2)ccc1Cl.FC(F)(F)c1cc(-c2ccccn2)ccc1Cl.[Ir+3]
InChIInChI=1S/3C12H7ClF3N.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
InChIKeyDTGNPFUWMJMCPD-UHFFFAOYSA-N
XLogP13.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.14
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
2-(2-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829616
2-(3-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829709
4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine
CID 10871645
6-(2-Chlorophenyl)-5-(4-chlorophenyl)-2-(pyridin-3-yl)nicotinonitrile
CID 44441005
13-Chloro-2-[1-(2-pyridin-3-ylethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;hydrochloride
CID 45261073
2-Chloro-3-[2-[2-(2-chlorophenyl)-3-pyridinyl]-1-pyridin-3-ylethyl]pyridine
CID 137657930
Tris(2-phenylpyridine)iridium
CID 45358635
3,8-Bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-3,8-diazabicyclo[3.2.1]octane
CID 44426634
Tris(2-phenylpyridine)iridium(III)
CID 21881187
2-(2-Chloro-5-(trifluoromethyl)phenyl)pyridine
CID 101913783
Tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride
CID 170996857

Frequently Asked Questions

What is the IUPAC name of tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)?
The IUPAC name of tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+) (CID 22184121) is tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+).
What is the SMILES notation for tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)?
The canonical SMILES for tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+) is FC(F)(F)c1cc(-c2ccccn2)ccc1Cl.FC(F)(F)c1cc(-c2ccccn2)ccc1Cl.FC(F)(F)c1cc(-c2ccccn2)ccc1Cl.[Ir+3].
What is the InChIKey of tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)?
The InChIKey is DTGNPFUWMJMCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H7ClF3N.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-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)?
tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+) has a molecular weight of 965.14 g/mol, XLogP of 13.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+) is sourced from PubChem (CID 22184121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).