8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C37H38FIrN3OSi-2 — CID 164712969

About 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 164712969) has the molecular formula C37H38FIrN3OSi-2 and a molecular weight of 781.04 g/mol. Its IUPAC name is 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 164712969
• Molecular Formula: C37H38FIrN3OSi-2
• Molecular Weight: 781.04 g/mol
• Exact Mass: 781.25
• IUPAC Name: 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]cc(F)c3c2oc2ncccc23)c1.[Ir]
• InChI: InChI=1S/C19H14FN2O.C18H24NSi.Ir/c1-11(2)12-7-9-21-16(10-12)13-5-6-15(20)17-14-4-3-8-22-19(14)23-18(13)17;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h3-4,6-11H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i11D
• InChIKey: GCKKIQILTLOICZ-IPPMSNHBSA-N
• XLogP: 9.40
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.04
LogP ≤ 5	9.40
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-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 164712969) is 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]cc(F)c3c2oc2ncccc23)c1.[Ir].

What is the InChIKey of 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is GCKKIQILTLOICZ-IPPMSNHBSA-N. The full InChI is InChI=1S/C19H14FN2O.C18H24NSi.Ir/c1-11(2)12-7-9-21-16(10-12)13-5-6-15(20)17-14-4-3-8-22-19(14)23-18(13)17;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h3-4,6-11H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i11D;;.

What are the key properties of 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 781.04 g/mol, XLogP of 9.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 164712969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).