(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium

C20H27FIrNP — CID 59782104

IUPAC(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium
SMILESCCC[P+](CCC)(CCC)c1cc(-c2ccccn2)[c-]cc1F.[Ir]
InChIInChI=1S/C20H27FNP.Ir/c1-4-13-23(14-5-2,15-6-3)20-16-17(10-11-18(20)21)19-9-7-8-12-22-19;/h7-9,11-12,16H,4-6,13-15H2,1-3H3;
InChIKeyTVUSLCUYLVCVTK-UHFFFAOYSA-N
MW523.63 g/mol
LogP5.56
Rot. Bonds8

About (2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium

(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium (PubChem CID 59782104) has the molecular formula C20H27FIrNP and a molecular weight of 523.63 g/mol. Its IUPAC name is (2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium.

Molecular Properties

Compound Name(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium
PubChem CID59782104
Molecular FormulaC20H27FIrNP
Molecular Weight523.63 g/mol
Exact Mass524.15
IUPAC Name(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium
SMILESCCC[P+](CCC)(CCC)c1cc(-c2ccccn2)[c-]cc1F.[Ir]
InChIInChI=1S/C20H27FNP.Ir/c1-4-13-23(14-5-2,15-6-3)20-16-17(10-11-18(20)21)19-9-7-8-12-22-19;/h7-9,11-12,16H,4-6,13-15H2,1-3H3;
InChIKeyTVUSLCUYLVCVTK-UHFFFAOYSA-N
XLogP5.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.63
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium
CID 59782033
2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium
CID 58162023
2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58881160
2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane
CID 23531572
bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol
CID 160983476
2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium
CID 58658159
propane;2-pyridin-2-ylpyridine
CID 158168510
bis(butyl-[(4-pyridin-2-ylbenzene-5-id-1-yl)methyl]azanium);iridium;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;hexafluorophosphate
CID 139143196
2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium
CID 58239769
iridium;3-pyridin-2-yl-4H-pyridin-4-ide
CID 140686819
4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;iridium;bis(2-phenylpyridine)
CID 172511088
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium?
The IUPAC name of (2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium (CID 59782104) is (2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium.
What is the SMILES notation for (2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium?
The canonical SMILES for (2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium is CCC[P+](CCC)(CCC)c1cc(-c2ccccn2)[c-]cc1F.[Ir].
What is the InChIKey of (2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium?
The InChIKey is TVUSLCUYLVCVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FNP.Ir/c1-4-13-23(14-5-2,15-6-3)20-16-17(10-11-18(20)21)19-9-7-8-12-22-19;/h7-9,11-12,16H,4-6,13-15H2,1-3H3;.
What are the key properties of (2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium?
(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium has a molecular weight of 523.63 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium is sourced from PubChem (CID 59782104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).