4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane

C40H35FGeIrN2O-2 — CID 164711632

About 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane

4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane (PubChem CID 164711632) has the molecular formula C40H35FGeIrN2O-2 and a molecular weight of 844.56 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
• PubChem CID: 164711632
• Molecular Formula: C40H35FGeIrN2O-2
• Molecular Weight: 844.56 g/mol
• Exact Mass: 846.16
• IUPAC Name: 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;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-]ccc3c2oc2cccc(F)c23)c1.[Ir]
• InChI: InChI=1S/C20H15FNO.C20H20GeN.Ir/c1-12(2)13-9-10-22-17(11-13)14-5-3-6-15-19-16(21)7-4-8-18(19)23-20(14)15;1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;/h3-4,6-12H,1-2H3;4-12,14-15H,1-3H3;/q2*-1;/i12D
• InChIKey: WVSXAKIYAYKDJO-USJWNWRASA-N
• XLogP: 10.47
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.56
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?

The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane (CID 164711632) is 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;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-]ccc3c2oc2cccc(F)c23)c1.[Ir].

What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?

The InChIKey is WVSXAKIYAYKDJO-USJWNWRASA-N. The full InChI is InChI=1S/C20H15FNO.C20H20GeN.Ir/c1-12(2)13-9-10-22-17(11-13)14-5-3-6-15-19-16(21)7-4-8-18(19)23-20(14)15;1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;/h3-4,6-12H,1-2H3;4-12,14-15H,1-3H3;/q2*-1;/i12D;;.

What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?

4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 844.56 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 164711632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).