2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

C44H43FIrN2OSi-2 — CID 169039156

About 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 169039156) has the molecular formula C44H43FIrN2OSi-2 and a molecular weight of 860.17 g/mol. Its IUPAC name is 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 169039156
• Molecular Formula: C44H43FIrN2OSi-2
• Molecular Weight: 860.17 g/mol
• Exact Mass: 860.31
• IUPAC Name: 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]ccc(F)c2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3oc4ccc(Cc5ccccc5)cc4c3c2)cc1C([2H])([2H])C(C)(C)C.[Ir]
• InChI: InChI=1S/C30H28NO.C14H15FNSi.Ir/c1-20-19-31-27(17-24(20)18-30(2,3)4)23-11-13-29-26(16-23)25-15-22(10-12-28(25)32-29)14-21-8-6-5-7-9-21;1-17(2,3)13-7-8-14(16-10-13)11-5-4-6-12(15)9-11;/h5-10,12-13,15-17,19H,14,18H2,1-4H3;4,6-10H,1-3H3;/q2*-1;/i1D3,18D2
• InChIKey: YNINLGGSWBRMGS-PZGLQIEUSA-N
• XLogP: 11.17
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.17
LogP ≤ 5	11.17
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-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 169039156) is 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is C[Si](C)(C)c1ccc(-c2[c-]ccc(F)c2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3oc4ccc(Cc5ccccc5)cc4c3c2)cc1C([2H])([2H])C(C)(C)C.[Ir].

What is the InChIKey of 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is YNINLGGSWBRMGS-PZGLQIEUSA-N. The full InChI is InChI=1S/C30H28NO.C14H15FNSi.Ir/c1-20-19-31-27(17-24(20)18-30(2,3)4)23-11-13-29-26(16-23)25-15-22(10-12-28(25)32-29)14-21-8-6-5-7-9-21;1-17(2,3)13-7-8-14(16-10-13)11-5-4-6-12(15)9-11;/h5-10,12-13,15-17,19H,14,18H2,1-4H3;4,6-10H,1-3H3;/q2*-1;/i1D3,18D2;;.

What are the key properties of 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 860.17 g/mol, XLogP of 11.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 169039156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).