2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine

C28H17FIrN2O-2 — CID 153464747

IUPAC2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
SMILESFc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H9FNO.C11H8N.Ir/c18-14-8-4-6-12-11-5-3-7-13(16(11)20-17(12)14)15-9-1-2-10-19-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8-10H;1-6,8-9H;/q2*-1;
InChIKeyPEJGYIUVPWQNJM-UHFFFAOYSA-N
MW608.67 g/mol
LogP7.13
Rot. Bonds2

About 2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine

2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine (PubChem CID 153464747) has the molecular formula C28H17FIrN2O-2 and a molecular weight of 608.67 g/mol. Its IUPAC name is 2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
PubChem CID153464747
Molecular FormulaC28H17FIrN2O-2
Molecular Weight608.67 g/mol
Exact Mass609.10
IUPAC Name2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
SMILESFc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H9FNO.C11H8N.Ir/c18-14-8-4-6-12-11-5-3-7-13(16(11)20-17(12)14)15-9-1-2-10-19-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8-10H;1-6,8-9H;/q2*-1;
InChIKeyPEJGYIUVPWQNJM-UHFFFAOYSA-N
XLogP7.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.67
LogP ≤ 57.13
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-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
CID 153464733
2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
CID 165386052
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 156686689
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine
CID 164797977
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500229
iridium;2-phenylpyridine;10-pyridin-2-yl-3-(trideuteriomethyl)-9H-[1]benzofuro[3,2-h]isoquinolin-9-ide
CID 172522979
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-4-propan-2-ylpyridine
CID 164797671
iridium;tris(2-phenylpyridine)
CID 23386734
4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164712552
5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane
CID 155608565
iridium;2-[6-(2,3,4,5,6-pentadeuteriophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 168730311

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?
The IUPAC name of 2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine (CID 153464747) is 2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine.
What is the SMILES notation for 2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?
The canonical SMILES for 2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine is Fc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?
The InChIKey is PEJGYIUVPWQNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FNO.C11H8N.Ir/c18-14-8-4-6-12-11-5-3-7-13(16(11)20-17(12)14)15-9-1-2-10-19-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8-10H;1-6,8-9H;/q2*-1;.
What are the key properties of 2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?
2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine has a molecular weight of 608.67 g/mol, XLogP of 7.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 153464747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).