iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid

C64H56IrN4O3Si-2 — CID 164826241

About iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid

iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid (PubChem CID 164826241) has the molecular formula C64H56IrN4O3Si-2 and a molecular weight of 1149.48 g/mol. Its IUPAC name is iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid.

Molecular Properties

• Compound Name: iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid
• PubChem CID: 164826241
• Molecular Formula: C64H56IrN4O3Si-2
• Molecular Weight: 1149.48 g/mol
• Exact Mass: 1149.38
• IUPAC Name: iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cc(C(=O)O)cc2)nc1.Cc1cncc2c1nc(-c1[c-]ccc3c1oc1cc(-c4ccc(-c5ccccc5)cc4)ccc13)n2-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.[Ir]
• InChI: InChI=1S/C49H40N3O.C15H16NO2Si.Ir/c1-30(2)42-25-38(34-15-10-7-11-16-34)26-43(31(3)4)47(42)52-44-29-50-28-32(5)46(44)51-49(52)41-18-12-17-40-39-24-23-37(27-45(39)53-48(40)41)36-21-19-35(20-22-36)33-13-8-6-9-14-33;1-19(2,3)13-8-9-14(16-10-13)11-4-6-12(7-5-11)15(17)18;/h6-17,19-31H,1-5H3;4,6-10H,1-3H3,(H,17,18);/q2*-1
• InChIKey: YDZWKKHEHFNRDZ-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 94.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1149.48
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid?

The IUPAC name of iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid (CID 164826241) is iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid.

What is the SMILES notation for iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid?

The canonical SMILES for iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid is C[Si](C)(C)c1ccc(-c2[c-]cc(C(=O)O)cc2)nc1.Cc1cncc2c1nc(-c1[c-]ccc3c1oc1cc(-c4ccc(-c5ccccc5)cc4)ccc13)n2-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.[Ir].

What is the InChIKey of iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid?

The InChIKey is YDZWKKHEHFNRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N3O.C15H16NO2Si.Ir/c1-30(2)42-25-38(34-15-10-7-11-16-34)26-43(31(3)4)47(42)52-44-29-50-28-32(5)46(44)51-49(52)41-18-12-17-40-39-24-23-37(27-45(39)53-48(40)41)36-21-19-35(20-22-36)33-13-8-6-9-14-33;1-19(2,3)13-8-9-14(16-10-13)11-4-6-12(7-5-11)15(17)18;/h6-17,19-31H,1-5H3;4,6-10H,1-3H3,(H,17,18);/q2*-1;.

What are the key properties of iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid?

iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid has a molecular weight of 1149.48 g/mol, XLogP of 16.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;7-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;4-(5-trimethylsilyl-2-pyridinyl)benzene-5-ide-1-carboxylic acid is sourced from PubChem (CID 164826241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).