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

C41H38FGeIrN3O-2 — CID 164713006

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

2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 164713006) has the molecular formula C41H38FGeIrN3O-2 and a molecular weight of 875.62 g/mol. Its IUPAC name is 2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 164713006
• Molecular Formula: C41H38FGeIrN3O-2
• Molecular Weight: 875.62 g/mol
• Exact Mass: 877.20
• IUPAC Name: 2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2nc(F)ccc23)ncc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C23H14FN2O.C18H24GeN.Ir/c1-14-12-20(25-13-19(14)15-6-3-2-4-7-15)18-9-5-8-16-17-10-11-21(24)26-23(17)27-22(16)18;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h2-8,10-13H,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i1D3
• InChIKey: PTJZQBWPECXCEO-GXXYEPOPSA-N
• XLogP: 10.25
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.62
LogP ≤ 5	10.25
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 2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 164713006) is 2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

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

The canonical SMILES for 2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2nc(F)ccc23)ncc1-c1ccccc1.[Ir].

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

The InChIKey is PTJZQBWPECXCEO-GXXYEPOPSA-N. The full InChI is InChI=1S/C23H14FN2O.C18H24GeN.Ir/c1-14-12-20(25-13-19(14)15-6-3-2-4-7-15)18-9-5-8-16-17-10-11-21(24)26-23(17)27-22(16)18;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h2-8,10-13H,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i1D3;;.

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

2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 875.62 g/mol, XLogP of 10.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 164713006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).