2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

C57H52IrN4OSi-2 — CID 164826722

About 2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (PubChem CID 164826722) has the molecular formula C57H52IrN4OSi-2 and a molecular weight of 1029.37 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
• PubChem CID: 164826722
• Molecular Formula: C57H52IrN4OSi-2
• Molecular Weight: 1029.37 g/mol
• Exact Mass: 1029.36
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccc(-c3ccccc3)nc21.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C42H34N3O.C15H18NSi.Ir/c1-26(2)34-24-30(28-14-7-5-8-15-28)25-35(27(3)4)39(34)45-41(33-20-13-19-32-31-18-11-12-21-38(31)46-40(32)33)44-37-23-22-36(43-42(37)45)29-16-9-6-10-17-29;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h5-19,21-27H,1-4H3;5-8,10-11H,1-4H3;/q2*-1
• InChIKey: OZSIMSOCSCVVJH-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.37
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (CID 164826722) is 2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

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

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccc(-c3ccccc3)nc21.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].

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

The InChIKey is OZSIMSOCSCVVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N3O.C15H18NSi.Ir/c1-26(2)34-24-30(28-14-7-5-8-15-28)25-35(27(3)4)39(34)45-41(33-20-13-19-32-31-18-11-12-21-38(31)46-40(32)33)44-37-23-22-36(43-42(37)45)29-16-9-6-10-17-29;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h5-19,21-27H,1-4H3;5-8,10-11H,1-4H3;/q2*-1;.

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

2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane has a molecular weight of 1029.37 g/mol, XLogP of 14.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 164826722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).