4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium

C41H38IrN2OSi-2 — CID 162709562

About 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium

4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium (PubChem CID 162709562) has the molecular formula C41H38IrN2OSi-2 and a molecular weight of 798.09 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 162709562
• Molecular Formula: C41H38IrN2OSi-2
• Molecular Weight: 798.09 g/mol
• Exact Mass: 798.26
• IUPAC Name: 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium
• SMILES: [2H]C(C)(C)c1ccnc(-c2[c-]cc3oc4ccccc4c3c2)c1.[2H]C([2H])(c1ccccc1)c1cc[c-]c(-c2cc([Si](C)(C)C)ccn2)c1.[Ir]
• InChI: InChI=1S/C21H22NSi.C20H16NO.Ir/c1-23(2,3)20-12-13-22-21(16-20)19-11-7-10-18(15-19)14-17-8-5-4-6-9-17;1-13(2)14-9-10-21-18(12-14)15-7-8-20-17(11-15)16-5-3-4-6-19(16)22-20;/h4-10,12-13,15-16H,14H2,1-3H3;3-6,8-13H,1-2H3;/q2*-1;/i14D2;13D
• InChIKey: JKWNNWZFQSFYCT-CYRKPLQNSA-N
• XLogP: 10.25
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.09
LogP ≤ 5	10.25
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 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium (CID 162709562) is 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium is [2H]C(C)(C)c1ccnc(-c2[c-]cc3oc4ccccc4c3c2)c1.[2H]C([2H])(c1ccccc1)c1cc[c-]c(-c2cc([Si](C)(C)C)ccn2)c1.[Ir].

What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium?

The InChIKey is JKWNNWZFQSFYCT-CYRKPLQNSA-N. The full InChI is InChI=1S/C21H22NSi.C20H16NO.Ir/c1-23(2,3)20-12-13-22-21(16-20)19-11-7-10-18(15-19)14-17-8-5-4-6-9-17;1-13(2)14-9-10-21-18(12-14)15-7-8-20-17(11-15)16-5-3-4-6-19(16)22-20;/h4-10,12-13,15-16H,14H2,1-3H3;3-6,8-13H,1-2H3;/q2*-1;/i14D2;13D;.

What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium?

4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium has a molecular weight of 798.09 g/mol, XLogP of 10.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[2-[3-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-4-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 162709562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).