2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

C42H39FGeIrN2O-2 — CID 166573991

About 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166573991) has the molecular formula C42H39FGeIrN2O-2 and a molecular weight of 874.63 g/mol. Its IUPAC name is 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• PubChem CID: 166573991
• Molecular Formula: C42H39FGeIrN2O-2
• Molecular Weight: 874.63 g/mol
• Exact Mass: 876.21
• IUPAC Name: 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cccc(-c2ccc3c(c2)oc2c(-c4cc(C(C)C)ccn4)[c-]cc(F)c23)c1.[Ir]
• InChI: InChI=1S/C27H21FNO.C15H18GeN.Ir/c1-16(2)18-11-12-29-24(14-18)21-9-10-23(28)26-22-8-7-20(15-25(22)30-27(21)26)19-6-4-5-17(3)13-19;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h4-8,10-16H,1-3H3;5-8,10-11H,1-4H3;/q2*-1;/i3D3
• InChIKey: WXTPYONNXDPUQC-RNHVAZJGSA-N
• XLogP: 11.09
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.63
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The IUPAC name of 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (CID 166573991) is 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cccc(-c2ccc3c(c2)oc2c(-c4cc(C(C)C)ccn4)[c-]cc(F)c23)c1.[Ir].

What is the InChIKey of 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The InChIKey is WXTPYONNXDPUQC-RNHVAZJGSA-N. The full InChI is InChI=1S/C27H21FNO.C15H18GeN.Ir/c1-16(2)18-11-12-29-24(14-18)21-9-10-23(28)26-22-8-7-20(15-25(22)30-27(21)26)19-6-4-5-17(3)13-19;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h4-8,10-16H,1-3H3;5-8,10-11H,1-4H3;/q2*-1;/i3D3;;.

What are the key properties of 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 874.63 g/mol, XLogP of 11.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-fluoro-7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166573991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).