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

C39H42GeIrN2O-2 — CID 155612022

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

2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 155612022) has the molecular formula C39H42GeIrN2O-2 and a molecular weight of 819.60 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 155612022
• Molecular Formula: C39H42GeIrN2O-2
• Molecular Weight: 819.60 g/mol
• Exact Mass: 821.21
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir]
• InChI: InChI=1S/C21H18NO.C18H24GeN.Ir/c1-14(2)12-15-10-11-22-19(13-15)18-8-5-7-17-16-6-3-4-9-20(16)23-21(17)18;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-7,9-11,13-14H,12H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: UKNZMXBYHLINMN-UHFFFAOYSA-N
• XLogP: 9.94
• 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	9.94
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-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 155612022) is 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

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

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].

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

The InChIKey is UKNZMXBYHLINMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NO.C18H24GeN.Ir/c1-14(2)12-15-10-11-22-19(13-15)18-8-5-7-17-16-6-3-4-9-20(16)23-21(17)18;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-7,9-11,13-14H,12H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 819.60 g/mol, XLogP of 9.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 155612022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).