2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane

C39H33FIrN2OSi-2 — CID 162708889

About 2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane

2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 162708889) has the molecular formula C39H33FIrN2OSi-2 and a molecular weight of 785.01 g/mol. Its IUPAC name is 2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 162708889
• Molecular Formula: C39H33FIrN2OSi-2
• Molecular Weight: 785.01 g/mol
• Exact Mass: 785.20
• IUPAC Name: 2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
• SMILES: Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.Fc1ccnc(-c2[c-]ccc3c2oc2ccc(Cc4ccccc4)cc23)c1.[Ir]
• InChI: InChI=1S/C24H15FNO.C15H18NSi.Ir/c25-18-11-12-26-22(15-18)20-8-4-7-19-21-14-17(9-10-23(21)27-24(19)20)13-16-5-2-1-3-6-16;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h1-7,9-12,14-15H,13H2;5-7,9-11H,1-4H3;/q2*-1
• InChIKey: YLKFMNNZJCKSFW-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.01
LogP ≤ 5	9.58
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-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of 2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 162708889) is 2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane.

What is the SMILES notation for 2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The canonical SMILES for 2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane is Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.Fc1ccnc(-c2[c-]ccc3c2oc2ccc(Cc4ccccc4)cc23)c1.[Ir].

What is the InChIKey of 2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The InChIKey is YLKFMNNZJCKSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FNO.C15H18NSi.Ir/c25-18-11-12-26-22(15-18)20-8-4-7-19-21-14-17(9-10-23(21)27-24(19)20)13-16-5-2-1-3-6-16;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h1-7,9-12,14-15H,13H2;5-7,9-11H,1-4H3;/q2*-1;.

What are the key properties of 2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?

2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 785.01 g/mol, XLogP of 9.58, 5 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-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 162708889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).