4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C46H44GeIrN2O-2 — CID 166577524

About 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166577524) has the molecular formula C46H44GeIrN2O-2 and a molecular weight of 905.70 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 166577524
• Molecular Formula: C46H44GeIrN2O-2
• Molecular Weight: 905.70 g/mol
• Exact Mass: 907.23
• IUPAC Name: 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1cc(CC2CC3CCC2CC3)ccn1
• InChI: InChI=1S/C32H28NO.C14H16GeN.Ir/c1-2-5-23(6-3-1)25-13-14-27-28-7-4-8-29(32(28)34-31(27)20-25)30-19-22(15-16-33-30)18-26-17-21-9-11-24(26)12-10-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-7,13-16,19-21,24,26H,9-12,17-18H2;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: SVFCWVXDHXNQRQ-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.70
LogP ≤ 5	11.58
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-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166577524) is 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1cc(CC2CC3CCC2CC3)ccn1.

What is the InChIKey of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is SVFCWVXDHXNQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28NO.C14H16GeN.Ir/c1-2-5-23(6-3-1)25-13-14-27-28-7-4-8-29(32(28)34-31(27)20-25)30-19-22(15-16-33-30)18-26-17-21-9-11-24(26)12-10-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-7,13-16,19-21,24,26H,9-12,17-18H2;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 905.70 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166577524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).