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

C46H44GeIrN2O-2 — CID 166499292

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

2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 166499292) has the molecular formula C46H44GeIrN2O-2 and a molecular weight of 905.70 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 166499292
• Molecular Formula: C46H44GeIrN2O-2
• Molecular Weight: 905.70 g/mol
• Exact Mass: 907.23
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cccc(C)c1C1C(c2[c-]ccc3c2oc2ccccc23)=Nc2ccccc21.[Ir]
• InChI: InChI=1S/C28H20NO.C18H24GeN.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;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-13,15-16,26H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: CHAQSQREHRIGSP-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 38.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.70
LogP ≤ 5	11.56
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;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 166499292) is 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

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

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(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;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is CHAQSQREHRIGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20NO.C18H24GeN.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;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-13,15-16,26H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

2-(3H-dibenzofuran-3-id-4-yl)-3-(2,6-dimethylphenyl)-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 905.70 g/mol, XLogP of 11.56, 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)-3-(2,6-dimethylphenyl)-3H-indole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 166499292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).