4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C37H35FIrN2OSi-2 — CID 164712406

About 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 164712406) has the molecular formula C37H35FIrN2OSi-2 and a molecular weight of 763.00 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 164712406
• Molecular Formula: C37H35FIrN2OSi-2
• Molecular Weight: 763.00 g/mol
• Exact Mass: 763.21
• IUPAC Name: 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1ccc2c(c1)oc1c[c-]c(-c3cc(CC4CCCC4)ccn3)cc12.[Ir]
• InChI: InChI=1S/C23H19FNO.C14H16NSi.Ir/c24-18-6-7-19-20-13-17(5-8-22(20)26-23(19)14-18)21-12-16(9-10-25-21)11-15-3-1-2-4-15;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-10,12-15H,1-4,11H2;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: BMIZTPJIHFHFDG-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.00
LogP ≤ 5	9.41
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 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 164712406) is 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1ccc2c(c1)oc1c[c-]c(-c3cc(CC4CCCC4)ccn3)cc12.[Ir].

What is the InChIKey of 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is BMIZTPJIHFHFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FNO.C14H16NSi.Ir/c24-18-6-7-19-20-13-17(5-8-22(20)26-23(19)14-18)21-12-16(9-10-25-21)11-15-3-1-2-4-15;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-10,12-15H,1-4,11H2;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 763.00 g/mol, XLogP of 9.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 164712406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).