[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium

C43H40F2IrN2OSi-2 — CID 164712927

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium (PubChem CID 164712927) has the molecular formula C43H40F2IrN2OSi-2 and a molecular weight of 860.11 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium
• PubChem CID: 164712927
• Molecular Formula: C43H40F2IrN2OSi-2
• Molecular Weight: 860.11 g/mol
• Exact Mass: 860.26
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium
• SMILES: Cc1cc(C)c(-c2cc(-c3[c-]ccc4c3oc3cc(F)ccc34)ncc2F)c(C)c1.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C26H18F2NO.C17H22NSi.Ir/c1-14-9-15(2)25(16(3)10-14)21-12-23(29-13-22(21)28)20-6-4-5-19-18-8-7-17(27)11-24(18)30-26(19)20;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h4-5,7-13H,1-3H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: IJMRFXWTHWOVBW-LTBAMTPYSA-N
• XLogP: 11.53
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.11
LogP ≤ 5	11.53
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;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium (CID 164712927) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium is Cc1cc(C)c(-c2cc(-c3[c-]ccc4c3oc3cc(F)ccc34)ncc2F)c(C)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;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium?

The InChIKey is IJMRFXWTHWOVBW-LTBAMTPYSA-N. The full InChI is InChI=1S/C26H18F2NO.C17H22NSi.Ir/c1-14-9-15(2)25(16(3)10-14)21-12-23(29-13-22(21)28)20-6-4-5-19-18-8-7-17(27)11-24(18)30-26(19)20;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h4-5,7-13H,1-3H3;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;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium has a molecular weight of 860.11 g/mol, XLogP of 11.53, 5 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;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium is sourced from PubChem (CID 164712927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).