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

C41H43FIrN2SSi-2 — CID 164712276

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

4-(cyclopentylmethyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 164712276) has the molecular formula C41H43FIrN2SSi-2 and a molecular weight of 839.20 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-(cyclopentylmethyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 164712276
• Molecular Formula: C41H43FIrN2SSi-2
• Molecular Weight: 839.20 g/mol
• Exact Mass: 839.28
• IUPAC Name: 4-(cyclopentylmethyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)c(F)c1.[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1cc(CC2CCCC2)ccn1
• InChI: InChI=1S/C23H20NS.C18H23FNSi.Ir/c1-2-7-16(6-1)14-17-12-13-24-21(15-17)20-10-5-9-19-18-8-3-4-11-22(18)25-23(19)20;1-12(2)15-10-17(20-11-18(15)21(4,5)6)14-8-7-13(3)9-16(14)19;/h3-5,8-9,11-13,15-16H,1-2,6-7,14H2;7,9-12H,1-6H3;/q2*-1;/i;3D3,12D
• InChIKey: VHNIHFUNLRHTCM-KAULTNGISA-N
• XLogP: 11.31
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.20
LogP ≤ 5	11.31
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-(cyclopentylmethyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-(cyclopentylmethyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium (CID 164712276) is 4-(cyclopentylmethyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium.

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

The canonical SMILES for 4-(cyclopentylmethyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)c(F)c1.[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1cc(CC2CCCC2)ccn1.

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

The InChIKey is VHNIHFUNLRHTCM-KAULTNGISA-N. The full InChI is InChI=1S/C23H20NS.C18H23FNSi.Ir/c1-2-7-16(6-1)14-17-12-13-24-21(15-17)20-10-5-9-19-18-8-3-4-11-22(18)25-23(19)20;1-12(2)15-10-17(20-11-18(15)21(4,5)6)14-8-7-13(3)9-16(14)19;/h3-5,8-9,11-13,15-16H,1-2,6-7,14H2;7,9-12H,1-6H3;/q2*-1;/i;3D3,12D;.

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

4-(cyclopentylmethyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 839.20 g/mol, XLogP of 11.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopentylmethyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 164712276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).