[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium

C42H39FIrN2SSi-2 — CID 164712271

About [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium

[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium (PubChem CID 164712271) has the molecular formula C42H39FIrN2SSi-2 and a molecular weight of 850.20 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium
• PubChem CID: 164712271
• Molecular Formula: C42H39FIrN2SSi-2
• Molecular Weight: 850.20 g/mol
• Exact Mass: 850.27
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(F)c3c2sc2ccccc23)cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C24H15FNS.C18H24NSi.Ir/c1-15-14-26-21(13-19(15)16-7-3-2-4-8-16)17-11-12-20(25)23-18-9-5-6-10-22(18)27-24(17)23;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h2-10,12-14H,1H3;7-9,11-13H,1-6H3;/q2*-1;/i1D3;3D3,13D
• InChIKey: IXYPAYAOGMMHSH-SQAATBNZSA-N
• XLogP: 11.55
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.20
LogP ≤ 5	11.55
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-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium (CID 164712271) is [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(F)c3c2sc2ccccc23)cc1-c1ccccc1.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium?

The InChIKey is IXYPAYAOGMMHSH-SQAATBNZSA-N. The full InChI is InChI=1S/C24H15FNS.C18H24NSi.Ir/c1-15-14-26-21(13-19(15)16-7-3-2-4-8-16)17-11-12-20(25)23-18-9-5-6-10-22(18)27-24(17)23;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h2-10,12-14H,1H3;7-9,11-13H,1-6H3;/q2*-1;/i1D3;3D3,13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium?

[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium has a molecular weight of 850.20 g/mol, XLogP of 11.55, 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)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium is sourced from PubChem (CID 164712271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).