[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium

C43H41FIrN2OSi-2 — CID 169038963

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium (PubChem CID 169038963) has the molecular formula C43H41FIrN2OSi-2 and a molecular weight of 842.12 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium
• PubChem CID: 169038963
• Molecular Formula: C43H41FIrN2OSi-2
• Molecular Weight: 842.12 g/mol
• Exact Mass: 842.27
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium
• SMILES: CC(C)c1ccnc(-c2[c-]cc3oc4ccc(-c5ccc(F)cc5)cc4c3c2)c1.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C26H19FNO.C17H22NSi.Ir/c1-16(2)18-11-12-28-24(15-18)20-6-10-26-23(14-20)22-13-19(5-9-25(22)29-26)17-3-7-21(27)8-4-17;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h3-5,7-16H,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: XSMAHIAOEPPTHL-LTBAMTPYSA-N
• XLogP: 11.59
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.12
LogP ≤ 5	11.59
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)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium (CID 169038963) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium is CC(C)c1ccnc(-c2[c-]cc3oc4ccc(-c5ccc(F)cc5)cc4c3c2)c1.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium?

The InChIKey is XSMAHIAOEPPTHL-LTBAMTPYSA-N. The full InChI is InChI=1S/C26H19FNO.C17H22NSi.Ir/c1-16(2)18-11-12-28-24(15-18)20-6-10-26-23(14-20)22-13-19(5-9-25(22)29-26)17-3-7-21(27)8-4-17;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h3-5,7-16H,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium has a molecular weight of 842.12 g/mol, XLogP of 11.59, 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)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium is sourced from PubChem (CID 169038963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).