4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C52H51IrN4OSi- — CID 164826867

About 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 164826867) has the molecular formula C52H51IrN4OSi- and a molecular weight of 971.33 g/mol. Its IUPAC name is 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 164826867
• Molecular Formula: C52H51IrN4OSi-
• Molecular Weight: 971.33 g/mol
• Exact Mass: 971.37
• IUPAC Name: 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: CC(C)(C)[n+]1cccc2nc(-c3[c-]ccc4c3oc3ccccc34)n(-c3ccc(-c4ccccc4)cc3)c21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C34H27N3O.C18H24NSi.Ir/c1-34(2,3)36-22-10-16-29-33(36)37(25-20-18-24(19-21-25)23-11-5-4-6-12-23)32(35-29)28-15-9-14-27-26-13-7-8-17-30(26)38-31(27)28;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h4-14,16-22H,1-3H3;7-9,11-13H,1-6H3;/q;-1;/i;3D3
• InChIKey: HETKAQKFTACOMQ-UMJUAPLUSA-N
• XLogP: 12.62
• TPSA: 47.73 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.33
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 164826867) is 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

What is the SMILES notation for 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The canonical SMILES for 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is CC(C)(C)[n+]1cccc2nc(-c3[c-]ccc4c3oc3ccccc34)n(-c3ccc(-c4ccccc4)cc3)c21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is HETKAQKFTACOMQ-UMJUAPLUSA-N. The full InChI is InChI=1S/C34H27N3O.C18H24NSi.Ir/c1-34(2,3)36-22-10-16-29-33(36)37(25-20-18-24(19-21-25)23-11-5-4-6-12-23)32(35-29)28-15-9-14-27-26-13-7-8-17-30(26)38-31(27)28;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h4-14,16-22H,1-3H3;7-9,11-13H,1-6H3;/q;-1;/i;3D3;.

What are the key properties of 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 971.33 g/mol, XLogP of 12.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)-3-(4-phenylphenyl)imidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 164826867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).