4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium

C41H35FIrN2O2-2 — CID 176754324

About 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium

4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium (PubChem CID 176754324) has the molecular formula C41H35FIrN2O2-2 and a molecular weight of 808.01 g/mol. Its IUPAC name is 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium.

Molecular Properties

• Compound Name: 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium
• PubChem CID: 176754324
• Molecular Formula: C41H35FIrN2O2-2
• Molecular Weight: 808.01 g/mol
• Exact Mass: 808.29
• IUPAC Name: 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium
• SMILES: Fc1c[c-]c(Oc2ccccn2)cc1.[2H]c1cc(C([2H])([2H])C(C)(C)C)cc(C([2H])([2H])[2H])c1-c1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1C([2H])([2H])[2H].[Ir]
• InChI: InChI=1S/C30H28NO.C11H7FNO.Ir/c1-19-15-21(17-30(3,4)5)13-14-22(19)26-16-27(31-18-20(26)2)25-11-8-10-24-23-9-6-7-12-28(23)32-29(24)25;12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;/h6-10,12-16,18H,17H2,1-5H3;1-6,8H;/q2*-1;/i1D3,2D3,14D,17D2
• InChIKey: JSRVUGGTBKXILK-BUGIJHIDSA-N
• XLogP: 11.13
• TPSA: 48.15 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.01
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium?

The IUPAC name of 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium (CID 176754324) is 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium.

What is the SMILES notation for 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium?

The canonical SMILES for 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium is Fc1c[c-]c(Oc2ccccn2)cc1.[2H]c1cc(C([2H])([2H])C(C)(C)C)cc(C([2H])([2H])[2H])c1-c1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1C([2H])([2H])[2H].[Ir].

What is the InChIKey of 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium?

The InChIKey is JSRVUGGTBKXILK-BUGIJHIDSA-N. The full InChI is InChI=1S/C30H28NO.C11H7FNO.Ir/c1-19-15-21(17-30(3,4)5)13-14-22(19)26-16-27(31-18-20(26)2)25-11-8-10-24-23-9-6-7-12-28(23)32-29(24)25;12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;/h6-10,12-16,18H,17H2,1-5H3;1-6,8H;/q2*-1;/i1D3,2D3,14D,17D2;;.

What are the key properties of 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium?

4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium has a molecular weight of 808.01 g/mol, XLogP of 11.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium is sourced from PubChem (CID 176754324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).