2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C47H46IrN2OSi-2 — CID 166499399

About 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 166499399) has the molecular formula C47H46IrN2OSi-2 and a molecular weight of 875.20 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 166499399
• Molecular Formula: C47H46IrN2OSi-2
• Molecular Weight: 875.20 g/mol
• Exact Mass: 875.30
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CCC(C)(CC)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1c1ccccc1
• InChI: InChI=1S/C26H16NO.C21H30NSi.Ir/c1-2-9-17(10-3-1)24-20-12-4-6-15-22(20)27-25(24)21-14-8-13-19-18-11-5-7-16-23(18)28-26(19)21;1-7-21(3,8-2)15-18-14-19(17-12-10-9-11-13-17)22-16-20(18)23(4,5)6;/h1-13,15-16,24H;9-12,14,16H,7-8,15H2,1-6H3;/q2*-1
• InChIKey: MYGAQXRJBDKKHQ-UHFFFAOYSA-N
• XLogP: 12.11
• TPSA: 38.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.20
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 166499399) is 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is CCC(C)(CC)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1C1=Nc2ccccc2C1c1ccccc1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is MYGAQXRJBDKKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16NO.C21H30NSi.Ir/c1-2-9-17(10-3-1)24-20-12-4-6-15-22(20)27-25(24)21-14-8-13-19-18-11-5-7-16-23(18)28-26(19)21;1-7-21(3,8-2)15-18-14-19(17-12-10-9-11-13-17)22-16-20(18)23(4,5)6;/h1-13,15-16,24H;9-12,14,16H,7-8,15H2,1-6H3;/q2*-1;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

2-(3H-dibenzofuran-3-id-4-yl)-3-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 875.20 g/mol, XLogP of 12.11, 8 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-phenyl-3H-indole;[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 166499399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).