(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium

C24H24F2IrN4Si-2 — CID 140743570

About (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium

(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium (PubChem CID 140743570) has the molecular formula C24H24F2IrN4Si-2 and a molecular weight of 626.78 g/mol. Its IUPAC name is (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium.

Molecular Properties

• Compound Name: (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium
• PubChem CID: 140743570
• Molecular Formula: C24H24F2IrN4Si-2
• Molecular Weight: 626.78 g/mol
• Exact Mass: 627.14
• IUPAC Name: (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium
• SMILES: C[Si](C)(C)c1c(F)c[c-]c(-c2ccccn2)c1F.Cc1nc(-c2ccccn2)[n-]c1C.[Ir]
• InChI: InChI=1S/C14H14F2NSi.C10H10N3.Ir/c1-18(2,3)14-11(15)8-7-10(13(14)16)12-6-4-5-9-17-12;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;/h4-6,8-9H,1-3H3;3-6H,1-2H3;/q2*-1
• InChIKey: DYOHGVUKVIVEEB-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 52.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.78
LogP ≤ 5	5.09
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-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium?

The IUPAC name of (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium (CID 140743570) is (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium.

What is the SMILES notation for (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium?

The canonical SMILES for (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium is C[Si](C)(C)c1c(F)c[c-]c(-c2ccccn2)c1F.Cc1nc(-c2ccccn2)[n-]c1C.[Ir].

What is the InChIKey of (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium?

The InChIKey is DYOHGVUKVIVEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2NSi.C10H10N3.Ir/c1-18(2,3)14-11(15)8-7-10(13(14)16)12-6-4-5-9-17-12;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;/h4-6,8-9H,1-3H3;3-6H,1-2H3;/q2*-1;.

What are the key properties of (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium?

(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium has a molecular weight of 626.78 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium is sourced from PubChem (CID 140743570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).