iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

C43H39F3IrN2OSi-2 — CID 169039041

About iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (PubChem CID 169039041) has the molecular formula C43H39F3IrN2OSi-2 and a molecular weight of 877.09 g/mol. Its IUPAC name is iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
• PubChem CID: 169039041
• Molecular Formula: C43H39F3IrN2OSi-2
• Molecular Weight: 877.09 g/mol
• Exact Mass: 877.24
• IUPAC Name: iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
• SMILES: CCC(CC)c1ccnc(-c2[c-]cc3oc4ccc(-c5cc(F)c(F)c(F)c5)cc4c3c2)c1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C28H21F3NO.C15H18NSi.Ir/c1-3-16(4-2)18-9-10-32-25(15-18)19-6-8-27-22(12-19)21-11-17(5-7-26(21)33-27)20-13-23(29)28(31)24(30)14-20;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h5,7-16H,3-4H2,1-2H3;5-8,10-11H,1-4H3;/q2*-1
• InChIKey: MUBRVOKJYRYOLA-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.09
LogP ≤ 5	11.84
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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

The IUPAC name of iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (CID 169039041) is iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

The canonical SMILES for iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is CCC(CC)c1ccnc(-c2[c-]cc3oc4ccc(-c5cc(F)c(F)c(F)c5)cc4c3c2)c1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].

What is the InChIKey of iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

The InChIKey is MUBRVOKJYRYOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3NO.C15H18NSi.Ir/c1-3-16(4-2)18-9-10-32-25(15-18)19-6-8-27-22(12-19)21-11-17(5-7-26(21)33-27)20-13-23(29)28(31)24(30)14-20;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h5,7-16H,3-4H2,1-2H3;5-8,10-11H,1-4H3;/q2*-1;.

What are the key properties of iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane has a molecular weight of 877.09 g/mol, XLogP of 11.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-pentan-3-yl-2-[8-(3,4,5-trifluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 169039041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).