[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C42H40FIrN3OSi-2 — CID 164712518

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 164712518) has the molecular formula C42H40FIrN3OSi-2 and a molecular weight of 843.11 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 164712518
• Molecular Formula: C42H40FIrN3OSi-2
• Molecular Weight: 843.11 g/mol
• Exact Mass: 843.26
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: Cc1cc(C)c(-c2ccnc(-c3[c-]ccc4c3oc3ncc(F)cc34)c2)c(C)c1.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C25H18FN2O.C17H22NSi.Ir/c1-14-9-15(2)23(16(3)10-14)17-7-8-27-22(11-17)20-6-4-5-19-21-12-18(26)13-28-25(21)29-24(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: HQYNULNYHUCSBB-LTBAMTPYSA-N
• XLogP: 10.79
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.11
LogP ≤ 5	10.79
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 [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 164712518) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is Cc1cc(C)c(-c2ccnc(-c3[c-]ccc4c3oc3ncc(F)cc34)c2)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;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is HQYNULNYHUCSBB-LTBAMTPYSA-N. The full InChI is InChI=1S/C25H18FN2O.C17H22NSi.Ir/c1-14-9-15(2)23(16(3)10-14)17-7-8-27-22(11-17)20-6-4-5-19-21-12-18(26)13-28-25(21)29-24(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;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 843.11 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 164712518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).