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

C39H34FGeIrN3O-2 — CID 164712519

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

8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane (PubChem CID 164712519) has the molecular formula C39H34FGeIrN3O-2 and a molecular weight of 845.55 g/mol. Its IUPAC name is 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
• PubChem CID: 164712519
• Molecular Formula: C39H34FGeIrN3O-2
• Molecular Weight: 845.55 g/mol
• Exact Mass: 847.16
• IUPAC Name: 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nc(F)ccc23)c1.[Ir]
• InChI: InChI=1S/C20H20GeN.C19H14FN2O.Ir/c1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;1-11(2)12-8-9-21-16(10-12)15-5-3-4-13-14-6-7-17(20)22-19(14)23-18(13)15;/h4-12,14-15H,1-3H3;3-4,6-11H,1-2H3;/q2*-1;/i;11D
• InChIKey: BBXSUTMGUYHDAH-GFZRUQOSSA-N
• XLogP: 9.86
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.55
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane (CID 164712519) is 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane.

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

The canonical SMILES for 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nc(F)ccc23)c1.[Ir].

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

The InChIKey is BBXSUTMGUYHDAH-GFZRUQOSSA-N. The full InChI is InChI=1S/C20H20GeN.C19H14FN2O.Ir/c1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;1-11(2)12-8-9-21-16(10-12)15-5-3-4-13-14-6-7-17(20)22-19(14)23-18(13)15;/h4-12,14-15H,1-3H3;3-4,6-11H,1-2H3;/q2*-1;/i;11D;.

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

8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 845.55 g/mol, XLogP of 9.86, 5 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]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 164712519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).