iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C65H60IrN4OSi-2 — CID 164826235

About iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 164826235) has the molecular formula C65H60IrN4OSi-2 and a molecular weight of 1136.54 g/mol. Its IUPAC name is iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 164826235
• Molecular Formula: C65H60IrN4OSi-2
• Molecular Weight: 1136.54 g/mol
• Exact Mass: 1136.44
• IUPAC Name: iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: Cc1ccc(-c2ccc3c(c2)oc2c(-c4nc5c(C)nc(-c6ccccc6)cc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)[c-]ccc23)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C50H42N3O.C15H18NSi.Ir/c1-30(2)42-26-38(34-14-9-7-10-15-34)27-43(31(3)4)48(42)53-45-29-44(36-16-11-8-12-17-36)51-33(6)47(45)52-50(53)41-19-13-18-40-39-25-24-37(28-46(39)54-49(40)41)35-22-20-32(5)21-23-35;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h7-18,20-31H,1-6H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3
• InChIKey: VENOFNUWBOGNRN-ICMJTWPQSA-N
• XLogP: 17.05
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.54
LogP ≤ 5	17.05
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 iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 164826235) is iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

What is the SMILES notation for iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The canonical SMILES for iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is Cc1ccc(-c2ccc3c(c2)oc2c(-c4nc5c(C)nc(-c6ccccc6)cc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)[c-]ccc23)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is VENOFNUWBOGNRN-ICMJTWPQSA-N. The full InChI is InChI=1S/C50H42N3O.C15H18NSi.Ir/c1-30(2)42-26-38(34-14-9-7-10-15-34)27-43(31(3)4)48(42)53-45-29-44(36-16-11-8-12-17-36)51-33(6)47(45)52-50(53)41-19-13-18-40-39-25-24-37(28-46(39)54-49(40)41)35-22-20-32(5)21-23-35;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h7-18,20-31H,1-6H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 1136.54 g/mol, XLogP of 17.05, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-methyl-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-6-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 164826235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).