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

C46H45FIrN2OSi-2 — CID 166577921

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

4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (PubChem CID 166577921) has the molecular formula C46H45FIrN2OSi-2 and a molecular weight of 881.18 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
• PubChem CID: 166577921
• Molecular Formula: C46H45FIrN2OSi-2
• Molecular Weight: 881.18 g/mol
• Exact Mass: 881.29
• IUPAC Name: 4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
• SMILES: CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Fc1ccccc1-c1ccc2c(c1)oc1c(-c3cc(CC4CCCC4)ccn3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C29H23FNO.C17H22NSi.Ir/c30-26-11-4-3-8-22(26)21-12-13-23-24-9-5-10-25(29(24)32-28(23)18-21)27-17-20(14-15-31-27)16-19-6-1-2-7-19;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h3-5,8-9,11-15,17-19H,1-2,6-7,16H2;6-9,11-13H,1-5H3;/q2*-1
• InChIKey: LNHGFTYBJIJTKV-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.18
LogP ≤ 5	12.20
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-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?

The IUPAC name of 4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (CID 166577921) is 4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

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

The canonical SMILES for 4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Fc1ccccc1-c1ccc2c(c1)oc1c(-c3cc(CC4CCCC4)ccn3)[c-]ccc12.[Ir].

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

The InChIKey is LNHGFTYBJIJTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FNO.C17H22NSi.Ir/c30-26-11-4-3-8-22(26)21-12-13-23-24-9-5-10-25(29(24)32-28(23)18-21)27-17-20(14-15-31-27)16-19-6-1-2-7-19;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h3-5,8-9,11-15,17-19H,1-2,6-7,16H2;6-9,11-13H,1-5H3;/q2*-1;.

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

4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane has a molecular weight of 881.18 g/mol, XLogP of 12.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is sourced from PubChem (CID 166577921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).