4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

C39H41FIrN2OSi-2 — CID 164711889

About 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 164711889) has the molecular formula C39H41FIrN2OSi-2 and a molecular weight of 797.10 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 164711889
• Molecular Formula: C39H41FIrN2OSi-2
• Molecular Weight: 797.10 g/mol
• Exact Mass: 797.29
• IUPAC Name: 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c(F)c1.[Ir]
• InChI: InChI=1S/C20H16NO.C19H25FNSi.Ir/c1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-13(2)9-15-11-18(21-12-19(15)22(4,5)6)16-8-7-14(3)10-17(16)20;/h3-7,9-13H,1-2H3;7,10-13H,9H2,1-6H3;/q2*-1;/i13D;3D3
• InChIKey: NTYBGOCMECOXRK-WZKMZUCESA-N
• XLogP: 10.31
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.10
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (CID 164711889) is 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c(F)c1.[Ir].

What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is NTYBGOCMECOXRK-WZKMZUCESA-N. The full InChI is InChI=1S/C20H16NO.C19H25FNSi.Ir/c1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-13(2)9-15-11-18(21-12-19(15)22(4,5)6)16-8-7-14(3)10-17(16)20;/h3-7,9-13H,1-2H3;7,10-13H,9H2,1-6H3;/q2*-1;/i13D;3D3;.

What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 797.10 g/mol, XLogP of 10.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 164711889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).