iridium;4-methyl-6-phenyl-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

C70H60IrN4O3Si-2 — CID 164824565

About iridium;4-methyl-6-phenyl-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;4-methyl-6-phenyl-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 164824565) has the molecular formula C70H60IrN4O3Si-2 and a molecular weight of 1225.58 g/mol. Its IUPAC name is iridium;4-methyl-6-phenyl-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;4-methyl-6-phenyl-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: 164824565
• Molecular Formula: C70H60IrN4O3Si-2
• Molecular Weight: 1225.58 g/mol
• Exact Mass: 1225.41
• IUPAC Name: iridium;4-methyl-6-phenyl-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.Cc1nc(-c2ccccc2)cc2nc(-c3[c-]ccc4c3oc3cc(-c5ccc(-c6ccccc6)cc5)ccc34)n(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c12.[Ir]
• InChI: InChI=1S/C55H44N3O.C15H16NO2Si.Ir/c1-34(2)47-30-43(38-18-11-7-12-19-38)31-48(35(3)4)53(47)58-52-36(5)56-49(41-20-13-8-14-21-41)33-50(52)57-55(58)46-23-15-22-45-44-29-28-42(32-51(44)59-54(45)46)40-26-24-39(25-27-40)37-16-9-6-10-17-37;1-19(2,3)13-8-9-14(16-10-13)11-4-6-12(7-5-11)15(17)18;/h6-22,24-35H,1-5H3;4,6-10H,1-3H3,(H,17,18);/q2*-1
• InChIKey: OFIYMIZOFOSBHX-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 94.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1225.58
LogP ≤ 5	17.80
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;4-methyl-6-phenyl-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;4-methyl-6-phenyl-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 164824565) is iridium;4-methyl-6-phenyl-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;4-methyl-6-phenyl-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;4-methyl-6-phenyl-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.Cc1nc(-c2ccccc2)cc2nc(-c3[c-]ccc4c3oc3cc(-c5ccc(-c6ccccc6)cc5)ccc34)n(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c12.[Ir].

What is the InChIKey of iridium;4-methyl-6-phenyl-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 OFIYMIZOFOSBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N3O.C15H16NO2Si.Ir/c1-34(2)47-30-43(38-18-11-7-12-19-38)31-48(35(3)4)53(47)58-52-36(5)56-49(41-20-13-8-14-21-41)33-50(52)57-55(58)46-23-15-22-45-44-29-28-42(32-51(44)59-54(45)46)40-26-24-39(25-27-40)37-16-9-6-10-17-37;1-19(2,3)13-8-9-14(16-10-13)11-4-6-12(7-5-11)15(17)18;/h6-22,24-35H,1-5H3;4,6-10H,1-3H3,(H,17,18);/q2*-1;.

What are the key properties of iridium;4-methyl-6-phenyl-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;4-methyl-6-phenyl-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 1225.58 g/mol, XLogP of 17.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-methyl-6-phenyl-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 164824565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).