tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+)

C33H18F6IrN3 — CID 15976205

IUPACtris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+)
SMILESFc1ccc(-c2cc[c-]cn2)c(F)c1.Fc1ccc(-c2cc[c-]cn2)c(F)c1.Fc1ccc(-c2cc[c-]cn2)c(F)c1.[Ir+3]
InChIInChI=1S/3C11H6F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1,3-7H;/q3*-1;+3
InChIKeyGIJABEKUGWKUFO-UHFFFAOYSA-N
MW762.73 g/mol
LogP8.48
Rot. Bonds3

About tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+)

tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+) (PubChem CID 15976205) has the molecular formula C33H18F6IrN3 and a molecular weight of 762.73 g/mol. Its IUPAC name is tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+).

Molecular Properties

Compound Nametris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+)
PubChem CID15976205
Molecular FormulaC33H18F6IrN3
Molecular Weight762.73 g/mol
Exact Mass763.10
IUPAC Nametris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+)
SMILESFc1ccc(-c2cc[c-]cn2)c(F)c1.Fc1ccc(-c2cc[c-]cn2)c(F)c1.Fc1ccc(-c2cc[c-]cn2)c(F)c1.[Ir+3]
InChIInChI=1S/3C11H6F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1,3-7H;/q3*-1;+3
InChIKeyGIJABEKUGWKUFO-UHFFFAOYSA-N
XLogP8.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.73
LogP ≤ 58.48
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

2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
4-(2,4-difluorophenyl)pyridine
CID 45036856
2-(2,4-difluorophenyl)pyridine;trichloroiridium
CID 174879451
4-(2,4-difluorophenyl)-1-ethylimidazole
CID 141121326
1-[6-(2,4-difluorophenyl)-3-pyridinyl]ethanol
CID 143762249
4-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 172796128
4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 115915006
3-chloro-5-(2,4-difluorophenyl)pyridin-2-amine
CID 168665656
2-(2,4-difluorophenyl)quinoxaline
CID 102428437
4-(2,4-difluorophenyl)-2,6-diphenylpyridine
CID 102527083
4-(2,4-difluorophenyl)benzene-1,2-diamine
CID 172847210
4-(2,4-difluorophenyl)-2-pyridin-2-ylpyridine
CID 102085632

Frequently Asked Questions

What is the IUPAC name of tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+)?
The IUPAC name of tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+) (CID 15976205) is tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+).
What is the SMILES notation for tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+)?
The canonical SMILES for tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+) is Fc1ccc(-c2cc[c-]cn2)c(F)c1.Fc1ccc(-c2cc[c-]cn2)c(F)c1.Fc1ccc(-c2cc[c-]cn2)c(F)c1.[Ir+3].
What is the InChIKey of tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+)?
The InChIKey is GIJABEKUGWKUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H6F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1,3-7H;/q3*-1;+3.
What are the key properties of tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+)?
tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+) has a molecular weight of 762.73 g/mol, XLogP of 8.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-(2,4-difluorophenyl)-3H-pyridin-3-ide);iridium(3+) is sourced from PubChem (CID 15976205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).