2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C59H58IrN4OSi-2 — CID 164824866

About 2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 164824866) has the molecular formula C59H58IrN4OSi-2 and a molecular weight of 1062.46 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 164824866
• Molecular Formula: C59H58IrN4OSi-2
• Molecular Weight: 1062.46 g/mol
• Exact Mass: 1062.42
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: Cc1nc2ccccc2c2nc(-c3[c-]ccc4c3oc3ccccc34)n(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C41H34N3O.C18H24NSi.Ir/c1-24(2)33-22-28(27-14-7-6-8-15-27)23-34(25(3)4)39(33)44-38-26(5)42-35-20-11-9-17-31(35)37(38)43-41(44)32-19-13-18-30-29-16-10-12-21-36(29)45-40(30)32;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h6-18,20-25H,1-5H3;7-9,11-13H,1-6H3;/q2*-1;/i;3D3
• InChIKey: CKQLLLNSHHRGJB-UMJUAPLUSA-N
• XLogP: 15.69
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.46
LogP ≤ 5	15.69
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)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 164824866) is 2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is Cc1nc2ccccc2c2nc(-c3[c-]ccc4c3oc3ccccc34)n(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is CKQLLLNSHHRGJB-UMJUAPLUSA-N. The full InChI is InChI=1S/C41H34N3O.C18H24NSi.Ir/c1-24(2)33-22-28(27-14-7-6-8-15-27)23-34(25(3)4)39(33)44-38-26(5)42-35-20-11-9-17-31(35)37(38)43-41(44)32-19-13-18-30-29-16-10-12-21-36(29)45-40(30)32;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h6-18,20-25H,1-5H3;7-9,11-13H,1-6H3;/q2*-1;/i;3D3;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 1062.46 g/mol, XLogP of 15.69, 9 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)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]quinoline;iridium;trimethyl-[4-propan-2-yl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 164824866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).