bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate

C22H16F20IrN2P3 — CID 175720169

IUPACbis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Fc1ccc(-c2ccccn2)cc1.Fc1ccc(-c2ccccn2)cc1.[Ir+3]
InChIInChI=1S/2C11H8FN.3F6P.Ir/c2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;3*1-7(2,3,4,5)6;/h2*1-8H;;;;/q;;3*-1;+3
InChIKeyYVLRJJGMGISOGP-UHFFFAOYSA-N
MW973.48 g/mol
LogP15.92
Rot. Bonds2

About bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate

bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate (PubChem CID 175720169) has the molecular formula C22H16F20IrN2P3 and a molecular weight of 973.48 g/mol. Its IUPAC name is bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate.

Molecular Properties

Compound Namebis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate
PubChem CID175720169
Molecular FormulaC22H16F20IrN2P3
Molecular Weight973.48 g/mol
Exact Mass973.98
IUPAC Namebis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Fc1ccc(-c2ccccn2)cc1.Fc1ccc(-c2ccccn2)cc1.[Ir+3]
InChIInChI=1S/2C11H8FN.3F6P.Ir/c2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;3*1-7(2,3,4,5)6;/h2*1-8H;;;;/q;;3*-1;+3
InChIKeyYVLRJJGMGISOGP-UHFFFAOYSA-N
XLogP15.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.48
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
2-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056482
4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
CID 79431898
2-(4-fluorophenyl)-4-pyridin-2-yl-1,3,5-triazine
CID 19738064
CID 88530161
CID 88530161
2-(4-methylphenyl)pyridine;silver
CID 121395993
bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate
CID 156597290
hydrazine;2-phenylpyridine
CID 158673997
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate?
The IUPAC name of bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate (CID 175720169) is bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate.
What is the SMILES notation for bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate?
The canonical SMILES for bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Fc1ccc(-c2ccccn2)cc1.Fc1ccc(-c2ccccn2)cc1.[Ir+3].
What is the InChIKey of bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate?
The InChIKey is YVLRJJGMGISOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8FN.3F6P.Ir/c2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;3*1-7(2,3,4,5)6;/h2*1-8H;;;;/q;;3*-1;+3.
What are the key properties of bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate?
bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate has a molecular weight of 973.48 g/mol, XLogP of 15.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate is sourced from PubChem (CID 175720169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).