8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C36H36FIrN3OSi-2 — CID 164711947

About 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 164711947) has the molecular formula C36H36FIrN3OSi-2 and a molecular weight of 772.04 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 164711947
• Molecular Formula: C36H36FIrN3OSi-2
• Molecular Weight: 772.04 g/mol
• Exact Mass: 772.26
• IUPAC Name: 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ncc(F)cc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])[2H])c([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C20H16FN2O.C16H20NSi.Ir/c1-20(2,3)12-7-8-22-17(9-12)15-6-4-5-14-16-10-13(21)11-23-19(16)24-18(14)15;1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5;/h4-5,7-11H,1-3H3;6-8,10-11H,1-5H3;/q2*-1;/i;1D3,2D3
• InChIKey: BLZBIYBNNHQOSL-RUHQGNAASA-N
• XLogP: 8.99
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.04
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 164711947) is 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

What is the SMILES notation for 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The canonical SMILES for 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ncc(F)cc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])[2H])c([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is BLZBIYBNNHQOSL-RUHQGNAASA-N. The full InChI is InChI=1S/C20H16FN2O.C16H20NSi.Ir/c1-20(2,3)12-7-8-22-17(9-12)15-6-4-5-14-16-10-13(21)11-23-19(16)24-18(14)15;1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5;/h4-5,7-11H,1-3H3;6-8,10-11H,1-5H3;/q2*-1;/i;1D3,2D3;.

What are the key properties of 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 772.04 g/mol, XLogP of 8.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-tert-butyl-2-pyridinyl)-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 164711947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).