iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane

C39H42GeIrN2O-2 — CID 162776831

About iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane

iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 162776831) has the molecular formula C39H42GeIrN2O-2 and a molecular weight of 819.60 g/mol. Its IUPAC name is iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 162776831
• Molecular Formula: C39H42GeIrN2O-2
• Molecular Weight: 819.60 g/mol
• Exact Mass: 821.21
• IUPAC Name: iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)c1ccc2oc3c[c-]c(-c4ccccn4)cc3c2c1.CCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C20H16NO.C19H26GeN.Ir/c1-13(2)14-6-8-19-16(11-14)17-12-15(7-9-20(17)22-19)18-5-3-4-10-21-18;1-6-15(2)12-17-13-19(16-10-8-7-9-11-16)21-14-18(17)20(3,4)5;/h3-6,8-13H,1-2H3;7-10,13-15H,6,12H2,1-5H3;/q2*-1
• InChIKey: QFVFBEFHTZGOBV-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.60
LogP ≤ 5	10.25
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 iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane (CID 162776831) is iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane is CC(C)c1ccc2oc3c[c-]c(-c4ccccn4)cc3c2c1.CCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is QFVFBEFHTZGOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NO.C19H26GeN.Ir/c1-13(2)14-6-8-19-16(11-14)17-12-15(7-9-20(17)22-19)18-5-3-4-10-21-18;1-6-15(2)12-17-13-19(16-10-8-7-9-11-16)21-14-18(17)20(3,4)5;/h3-6,8-13H,1-2H3;7-10,13-15H,6,12H2,1-5H3;/q2*-1;.

What are the key properties of iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane?

iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 819.60 g/mol, XLogP of 10.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 162776831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).