2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine

C28H17FIrN2O-2 — CID 153464733

IUPAC2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
SMILESFc1cccc2oc3c(-c4ccccn4)[c-]ccc3c12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H9FNO.C11H8N.Ir/c18-13-7-4-9-15-16(13)12-6-3-5-11(17(12)20-15)14-8-1-2-10-19-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-10H;1-6,8-9H;/q2*-1;
InChIKeyZXKAIKBOJJRNNR-UHFFFAOYSA-N
MW608.67 g/mol
LogP7.13
Rot. Bonds2

About 2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine

2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine (PubChem CID 153464733) has the molecular formula C28H17FIrN2O-2 and a molecular weight of 608.67 g/mol. Its IUPAC name is 2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
PubChem CID153464733
Molecular FormulaC28H17FIrN2O-2
Molecular Weight608.67 g/mol
Exact Mass609.10
IUPAC Name2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
SMILESFc1cccc2oc3c(-c4ccccn4)[c-]ccc3c12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H9FNO.C11H8N.Ir/c18-13-7-4-9-15-16(13)12-6-3-5-11(17(12)20-15)14-8-1-2-10-19-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-10H;1-6,8-9H;/q2*-1;
InChIKeyZXKAIKBOJJRNNR-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'}

Analyze 2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
CID 153464747
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
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(3+);bis(2-methyl-6-phenylpyridine)
CID 59500229
bis(4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+);2-phenylpyridine
CID 167425260
2-(8H-[1]benzothiolo[6,7-b][1]benzofuran-8-id-7-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 168830080
CID 162452967
CID 162452967
4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164711632
5-tert-butyl-3-(3H-dibenzofuran-3-id-4-yl)pyridazine;iridium;2-phenylpyridine
CID 172534963
tris(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158275223
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;1-methanidyl-2-methyl-6-phenylpyridin-1-ium;2-methyl-6-phenylpyridine
CID 170925073

Frequently Asked Questions

What is the IUPAC name of 2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?
The IUPAC name of 2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine (CID 153464733) is 2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine.
What is the SMILES notation for 2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?
The canonical SMILES for 2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine is Fc1cccc2oc3c(-c4ccccn4)[c-]ccc3c12.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?
The InChIKey is ZXKAIKBOJJRNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FNO.C11H8N.Ir/c18-13-7-4-9-15-16(13)12-6-3-5-11(17(12)20-15)14-8-1-2-10-19-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-10H;1-6,8-9H;/q2*-1;.
What are the key properties of 2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine?
2-(9-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-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 153464733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).