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

C47H46GeIrN2O-2 — CID 166499025

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

2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 166499025) has the molecular formula C47H46GeIrN2O-2 and a molecular weight of 919.72 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 166499025
• Molecular Formula: C47H46GeIrN2O-2
• Molecular Weight: 919.72 g/mol
• Exact Mass: 921.25
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cccc(C)c1C1C(c2[c-]ccc3c2oc2ccccc23)=Nc2ccccc21.[Ir]
• InChI: InChI=1S/C28H20NO.C19H26GeN.Ir/c1-17-9-7-10-18(2)25(17)26-21-12-3-5-15-23(21)29-27(26)22-14-8-13-20-19-11-4-6-16-24(19)30-28(20)22;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-13,15-16,26H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1
• InChIKey: GXJJHLFKFQSTOS-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 38.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.72
LogP ≤ 5	11.95
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)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 166499025) is 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

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

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cccc(C)c1C1C(c2[c-]ccc3c2oc2ccccc23)=Nc2ccccc21.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is GXJJHLFKFQSTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20NO.C19H26GeN.Ir/c1-17-9-7-10-18(2)25(17)26-21-12-3-5-15-23(21)29-27(26)22-14-8-13-20-19-11-4-6-16-24(19)30-28(20)22;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-13,15-16,26H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.

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

2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 919.72 g/mol, XLogP of 11.95, 5 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)-3-(2,6-dimethylphenyl)-3H-indole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 166499025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).