2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C50H48IrN2OSi-2 — CID 166573986

About 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 166573986) has the molecular formula C50H48IrN2OSi-2 and a molecular weight of 916.27 g/mol. Its IUPAC name is 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 166573986
• Molecular Formula: C50H48IrN2OSi-2
• Molecular Weight: 916.27 g/mol
• Exact Mass: 916.34
• IUPAC Name: 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: Cc1cccc(C)c1-c1cccc2c1oc1cc(-c3cc(CC(C)C)ccn3)[c-]cc12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C29H26NO.C21H22NSi.Ir/c1-18(2)15-21-13-14-30-26(16-21)22-11-12-23-24-9-6-10-25(29(24)31-27(23)17-22)28-19(3)7-5-8-20(28)4;1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-22-21)23(2,3)4;/h5-10,12-14,16-18H,15H2,1-4H3;5-10,12-15H,1-4H3;/q2*-1;/i;1D3
• InChIKey: QFADQAHUKYNVOG-ICMJTWPQSA-N
• XLogP: 13.00
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.27
LogP ≤ 5	13.00
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-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 166573986) is 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

What is the SMILES notation for 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The canonical SMILES for 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is Cc1cccc(C)c1-c1cccc2c1oc1cc(-c3cc(CC(C)C)ccn3)[c-]cc12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1-c1ccccc1.[Ir].

What is the InChIKey of 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is QFADQAHUKYNVOG-ICMJTWPQSA-N. The full InChI is InChI=1S/C29H26NO.C21H22NSi.Ir/c1-18(2)15-21-13-14-30-26(16-21)22-11-12-23-24-9-6-10-25(29(24)31-27(23)17-22)28-19(3)7-5-8-20(28)4;1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-22-21)23(2,3)4;/h5-10,12-14,16-18H,15H2,1-4H3;5-10,12-15H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 916.27 g/mol, XLogP of 13.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 166573986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).