iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)

C36H24F9IrN3 — CID 173119875

IUPACiridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
SMILESFC(F)(F)c1ccc(-c2ccccc2)nc1.FC(F)(F)c1ccc(-c2ccccc2)nc1.FC(F)(F)c1ccc(-c2ccccc2)nc1.[Ir]
InChIInChI=1S/3C12H8F3N.Ir/c3*13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;/h3*1-8H;
InChIKeyLNKAPMZIRXVJLH-UHFFFAOYSA-N
MW861.81 g/mol
LogP11.30
Rot. Bonds3

About iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)

iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine) (PubChem CID 173119875) has the molecular formula C36H24F9IrN3 and a molecular weight of 861.81 g/mol. Its IUPAC name is iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine).

Molecular Properties

Compound Nameiridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
PubChem CID173119875
Molecular FormulaC36H24F9IrN3
Molecular Weight861.81 g/mol
Exact Mass862.15
IUPAC Nameiridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
SMILESFC(F)(F)c1ccc(-c2ccccc2)nc1.FC(F)(F)c1ccc(-c2ccccc2)nc1.FC(F)(F)c1ccc(-c2ccccc2)nc1.[Ir]
InChIInChI=1S/3C12H8F3N.Ir/c3*13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;/h3*1-8H;
InChIKeyLNKAPMZIRXVJLH-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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Frequently Asked Questions

What is the IUPAC name of iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)?
The IUPAC name of iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine) (CID 173119875) is iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine).
What is the SMILES notation for iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)?
The canonical SMILES for iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine) is FC(F)(F)c1ccc(-c2ccccc2)nc1.FC(F)(F)c1ccc(-c2ccccc2)nc1.FC(F)(F)c1ccc(-c2ccccc2)nc1.[Ir].
What is the InChIKey of iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)?
The InChIKey is LNKAPMZIRXVJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8F3N.Ir/c3*13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;/h3*1-8H;.
What are the key properties of iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)?
iridium;tris(2-phenyl-5-(trifluoromethyl)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;tris(2-phenyl-5-(trifluoromethyl)pyridine) is sourced from PubChem (CID 173119875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).