4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane

C34H30IrN2OSi-2 — CID 155608387

About 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane

4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane (PubChem CID 155608387) has the molecular formula C34H30IrN2OSi-2 and a molecular weight of 702.93 g/mol. Its IUPAC name is 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane.

Molecular Properties

• Compound Name: 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane
• PubChem CID: 155608387
• Molecular Formula: C34H30IrN2OSi-2
• Molecular Weight: 702.93 g/mol
• Exact Mass: 703.18
• IUPAC Name: 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane
• SMILES: C[Si](C)(C)c1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].[c-]1ccccc1-c1cc(C2CC2)ccn1
• InChI: InChI=1S/C20H18NOSi.C14H12N.Ir/c1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-2-4-12(5-3-1)14-10-13(8-9-15-14)11-6-7-11;/h4-7,9-13H,1-3H3;1-4,8-11H,6-7H2;/q2*-1
• InChIKey: SDGBQYYOBFHFLU-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.93
LogP ≤ 5	8.42
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-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane?

The IUPAC name of 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane (CID 155608387) is 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane.

What is the SMILES notation for 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane?

The canonical SMILES for 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane is C[Si](C)(C)c1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].[c-]1ccccc1-c1cc(C2CC2)ccn1.

What is the InChIKey of 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane?

The InChIKey is SDGBQYYOBFHFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NOSi.C14H12N.Ir/c1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-2-4-12(5-3-1)14-10-13(8-9-15-14)11-6-7-11;/h4-7,9-13H,1-3H3;1-4,8-11H,6-7H2;/q2*-1;.

What are the key properties of 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane?

4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane has a molecular weight of 702.93 g/mol, XLogP of 8.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane is sourced from PubChem (CID 155608387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).