tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+)

C36H18F12IrN3 — CID 57404076

IUPACtris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+)
SMILESFc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.[Ir+3]
InChIInChI=1S/3C12H6F4N.Ir/c3*13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;/h3*1,3-7H;/q3*-1;+3
InChIKeyYNSZUXUTALLBGA-UHFFFAOYSA-N
MW912.75 g/mol
LogP11.12
Rot. Bonds3

About tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+)

tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+) (PubChem CID 57404076) has the molecular formula C36H18F12IrN3 and a molecular weight of 912.75 g/mol. Its IUPAC name is tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+).

Molecular Properties

Compound Nametris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+)
PubChem CID57404076
Molecular FormulaC36H18F12IrN3
Molecular Weight912.75 g/mol
Exact Mass913.09
IUPAC Nametris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+)
SMILESFc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.[Ir+3]
InChIInChI=1S/3C12H6F4N.Ir/c3*13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;/h3*1,3-7H;/q3*-1;+3
InChIKeyYNSZUXUTALLBGA-UHFFFAOYSA-N
XLogP11.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.75
LogP ≤ 511.12
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

Anabasamine
CID 161313
2,5-Dipyridin-2-ylpyridine
CID 4580671
tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
CID 5486195
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
2-Phenyl-5-(pyridin-4-ylmethyl)pyridine
CID 57330009
2-Phenyl-5-(pyridin-3-ylmethyl)pyridine
CID 57330010
5-((5-Methylpyridin-3-yl)methyl)-2-phenylpyridine
CID 57330086
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
N-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyridin-3-amine
CID 76335557
5,5'-Bis(trifluoromethyl)-2,2'-bipyridyl
CID 589903
2-Methyl-6-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-3-pyridinyl]pyridine
CID 44392387

Frequently Asked Questions

What is the IUPAC name of tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+)?
The IUPAC name of tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+) (CID 57404076) is tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+).
What is the SMILES notation for tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+)?
The canonical SMILES for tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+) is Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.[Ir+3].
What is the InChIKey of tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+)?
The InChIKey is YNSZUXUTALLBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H6F4N.Ir/c3*13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;/h3*1,3-7H;/q3*-1;+3.
What are the key properties of tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+)?
tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+) has a molecular weight of 912.75 g/mol, XLogP of 11.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+) is sourced from PubChem (CID 57404076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).