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

C47H40IrN2O2Si-2 — CID 162708272

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

4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[7-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 162708272) has the molecular formula C47H40IrN2O2Si-2 and a molecular weight of 888.17 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[7-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[7-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 162708272
• Molecular Formula: C47H40IrN2O2Si-2
• Molecular Weight: 888.17 g/mol
• Exact Mass: 888.27
• IUPAC Name: 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[7-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-3-pyridinyl]-trimethylsilane;iridium
• SMILES: [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])(c1ccccc1)c1ccc2c(c1)oc1c(-c3ccc([Si](C)(C)C)cn3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C27H24NOSi.C20H16NO.Ir/c1-30(2,3)21-13-15-25(28-18-21)24-11-7-10-23-22-14-12-20(17-26(22)29-27(23)24)16-19-8-5-4-6-9-19;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;/h4-10,12-15,17-18H,16H2,1-3H3;3-7,9-13H,1-2H3;/q2*-1;/i16D2;13D
• InChIKey: SYNQGQZIGXKQQX-LCIRCASHSA-N
• XLogP: 12.15
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.17
LogP ≤ 5	12.15
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 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[7-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[7-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-3-pyridinyl]-trimethylsilane;iridium (CID 162708272) is 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[7-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-3-pyridinyl]-trimethylsilane;iridium.

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

The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[7-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-3-pyridinyl]-trimethylsilane;iridium is [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])(c1ccccc1)c1ccc2c(c1)oc1c(-c3ccc([Si](C)(C)C)cn3)[c-]ccc12.[Ir].

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

The InChIKey is SYNQGQZIGXKQQX-LCIRCASHSA-N. The full InChI is InChI=1S/C27H24NOSi.C20H16NO.Ir/c1-30(2,3)21-13-15-25(28-18-21)24-11-7-10-23-22-14-12-20(17-26(22)29-27(23)24)16-19-8-5-4-6-9-19;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;/h4-10,12-15,17-18H,16H2,1-3H3;3-7,9-13H,1-2H3;/q2*-1;/i16D2;13D;.

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

4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[7-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 888.17 g/mol, XLogP of 12.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[7-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 162708272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).