2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

C33H25FIrN2O2Si-2 — CID 176584107

About 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 176584107) has the molecular formula C33H25FIrN2O2Si-2 and a molecular weight of 720.88 g/mol. Its IUPAC name is 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 176584107
• Molecular Formula: C33H25FIrN2O2Si-2
• Molecular Weight: 720.88 g/mol
• Exact Mass: 721.13
• IUPAC Name: 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[Ir].[c-]1ccc2oc3ccccc3c2c1-c1nc2ccccc2o1
• InChI: InChI=1S/C19H10NO2.C14H15FNSi.Ir/c1-3-9-15-12(6-1)18-13(7-5-11-17(18)21-15)19-20-14-8-2-4-10-16(14)22-19;1-17(2,3)13-8-9-14(16-10-13)11-4-6-12(15)7-5-11;/h1-6,8-11H;4,6-10H,1-3H3;/q2*-1
• InChIKey: IOKXELAMXWPLBY-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.88
LogP ≤ 5	8.42
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-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 176584107) is 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is C[Si](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[Ir].[c-]1ccc2oc3ccccc3c2c1-c1nc2ccccc2o1.

What is the InChIKey of 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is IOKXELAMXWPLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10NO2.C14H15FNSi.Ir/c1-3-9-15-12(6-1)18-13(7-5-11-17(18)21-15)19-20-14-8-2-4-10-16(14)22-19;1-17(2,3)13-8-9-14(16-10-13)11-4-6-12(15)7-5-11;/h1-6,8-11H;4,6-10H,1-3H3;/q2*-1;.

What are the key properties of 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 720.88 g/mol, XLogP of 8.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzoxazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 176584107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).