2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

C40H44GeIrN2O-2 — CID 155612395

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

2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 155612395) has the molecular formula C40H44GeIrN2O-2 and a molecular weight of 833.63 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 155612395
• Molecular Formula: C40H44GeIrN2O-2
• Molecular Weight: 833.63 g/mol
• Exact Mass: 835.23
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir]
• InChI: InChI=1S/C21H18NO.C19H26GeN.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;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-7,9-11,13-14H,12H2,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1
• InChIKey: KUIINMVZIWYDBL-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.63
LogP ≤ 5	10.33
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;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 155612395) is 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

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

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is CC(C)(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;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is KUIINMVZIWYDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NO.C19H26GeN.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;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-7,9-11,13-14H,12H2,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.

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

2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 833.63 g/mol, XLogP of 10.33, 6 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;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 155612395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).