2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

C39H39GeIrN3O-2 — CID 156659628

About 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156659628) has the molecular formula C39H39GeIrN3O-2 and a molecular weight of 832.60 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 156659628
• Molecular Formula: C39H39GeIrN3O-2
• Molecular Weight: 832.60 g/mol
• Exact Mass: 834.21
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CCn1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir]
• InChI: InChI=1S/C21H15N2O.C18H24GeN.Ir/c1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-9,11-13H,2H2,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2
• InChIKey: WVBQSGARXLKIET-YXZWVCJGSA-N
• XLogP: 9.71
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.60
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 156659628) is 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is CCn1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is WVBQSGARXLKIET-YXZWVCJGSA-N. The full InChI is InChI=1S/C21H15N2O.C18H24GeN.Ir/c1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-9,11-13H,2H2,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 832.60 g/mol, XLogP of 9.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156659628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).