2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium

C44H33FIrN2O2Si-2 — CID 162709083

About 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium

2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 162709083) has the molecular formula C44H33FIrN2O2Si-2 and a molecular weight of 863.07 g/mol. Its IUPAC name is 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 162709083
• Molecular Formula: C44H33FIrN2O2Si-2
• Molecular Weight: 863.07 g/mol
• Exact Mass: 863.21
• IUPAC Name: 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2cc(F)ccc23)nc1.[2H]C([2H])(c1ccccc1)c1ccc2oc3c(-c4ccccn4)[c-]ccc3c2c1.[Ir]
• InChI: InChI=1S/C24H16NO.C20H17FNOSi.Ir/c1-2-7-17(8-3-1)15-18-12-13-23-21(16-18)19-9-6-10-20(24(19)26-23)22-11-4-5-14-25-22;1-24(2,3)14-8-10-18(22-12-14)17-6-4-5-16-15-9-7-13(21)11-19(15)23-20(16)17;/h1-9,11-14,16H,15H2;4-5,7-12H,1-3H3;/q2*-1;/i15D2
• InChIKey: UGROTUWLPNSGJZ-ZWFFIOJKSA-N
• XLogP: 11.17
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.07
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 162709083) is 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium is C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2cc(F)ccc23)nc1.[2H]C([2H])(c1ccccc1)c1ccc2oc3c(-c4ccccn4)[c-]ccc3c2c1.[Ir].

What is the InChIKey of 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is UGROTUWLPNSGJZ-ZWFFIOJKSA-N. The full InChI is InChI=1S/C24H16NO.C20H17FNOSi.Ir/c1-2-7-17(8-3-1)15-18-12-13-23-21(16-18)19-9-6-10-20(24(19)26-23)22-11-4-5-14-25-22;1-24(2,3)14-8-10-18(22-12-14)17-6-4-5-16-15-9-7-13(21)11-19(15)23-20(16)17;/h1-9,11-14,16H,15H2;4-5,7-12H,1-3H3;/q2*-1;/i15D2;;.

What are the key properties of 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium?

2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 863.07 g/mol, XLogP of 11.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 162709083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).