4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium

C38H39FIrN2OSi-2 — CID 164711626

About 4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium

4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 164711626) has the molecular formula C38H39FIrN2OSi-2 and a molecular weight of 784.07 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 164711626
• Molecular Formula: C38H39FIrN2OSi-2
• Molecular Weight: 784.07 g/mol
• Exact Mass: 784.28
• IUPAC Name: 4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
• SMILES: [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cc(F)ccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C20H15FNO.C18H24NSi.Ir/c1-12(2)13-8-9-22-18(10-13)17-5-3-4-16-15-7-6-14(21)11-19(15)23-20(16)17;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h3-4,6-12H,1-2H3;7-9,11-13H,1-6H3;/q2*-1;/i12D;3D3,13D
• InChIKey: BONHRLHUOYJJRR-GAKNVPTESA-N
• XLogP: 10.23
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.07
LogP ≤ 5	10.23
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-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium (CID 164711626) is 4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cc(F)ccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is BONHRLHUOYJJRR-GAKNVPTESA-N. The full InChI is InChI=1S/C20H15FNO.C18H24NSi.Ir/c1-12(2)13-8-9-22-18(10-13)17-5-3-4-16-15-7-6-14(21)11-19(15)23-20(16)17;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h3-4,6-12H,1-2H3;7-9,11-13H,1-6H3;/q2*-1;/i12D;3D3,13D;.

What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 784.07 g/mol, XLogP of 10.23, 6 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-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 164711626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).