2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C41H37FGeIrN2O-2 — CID 166578231

About 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166578231) has the molecular formula C41H37FGeIrN2O-2 and a molecular weight of 857.58 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 166578231
• Molecular Formula: C41H37FGeIrN2O-2
• Molecular Weight: 857.58 g/mol
• Exact Mass: 859.17
• IUPAC Name: 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccc(F)cc4)ccc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C27H21FNO.C14H16GeN.Ir/c1-17(2)14-18-12-13-29-25(15-18)24-5-3-4-23-22-11-8-20(16-26(22)30-27(23)24)19-6-9-21(28)10-7-19;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-4,6-13,15-17H,14H2,1-2H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: DCZPMOHMKKSHCK-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.58
LogP ≤ 5	10.54
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 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166578231) is 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccc(F)cc4)ccc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is DCZPMOHMKKSHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FNO.C14H16GeN.Ir/c1-17(2)14-18-12-13-29-25(15-18)24-5-3-4-23-22-11-8-20(16-26(22)30-27(23)24)19-6-9-21(28)10-7-19;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-4,6-13,15-17H,14H2,1-2H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 857.58 g/mol, XLogP of 10.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166578231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).