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

C59H56IrN4OSi-2 — CID 164826398

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

iridium;7-methyl-1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 164826398) has the molecular formula C59H56IrN4OSi-2 and a molecular weight of 1060.45 g/mol. Its IUPAC name is iridium;7-methyl-1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;7-methyl-1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 164826398
• Molecular Formula: C59H56IrN4OSi-2
• Molecular Weight: 1060.45 g/mol
• Exact Mass: 1060.41
• IUPAC Name: iridium;7-methyl-1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: Cc1cc(C(C)C)c(-n2c(-c3[c-]ccc4c3oc3cc(-c5ccc(-c6ccccc6)cc5)ccc34)nc3cncc(C)c32)c(C(C)C)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C44H38N3O.C15H18NSi.Ir/c1-26(2)37-21-28(5)22-38(27(3)4)42(37)47-41-29(6)24-45-25-39(41)46-44(47)36-14-10-13-35-34-20-19-33(23-40(34)48-43(35)36)32-17-15-31(16-18-32)30-11-8-7-9-12-30;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h7-13,15-27H,1-6H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3
• InChIKey: ZZUAMIWUAXYZQF-ICMJTWPQSA-N
• XLogP: 15.38
• 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	1060.45
LogP ≤ 5	15.38
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;7-methyl-1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of iridium;7-methyl-1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 164826398) is iridium;7-methyl-1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

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

The canonical SMILES for iridium;7-methyl-1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is Cc1cc(C(C)C)c(-n2c(-c3[c-]ccc4c3oc3cc(-c5ccc(-c6ccccc6)cc5)ccc34)nc3cncc(C)c32)c(C(C)C)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[Ir].

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

The InChIKey is ZZUAMIWUAXYZQF-ICMJTWPQSA-N. The full InChI is InChI=1S/C44H38N3O.C15H18NSi.Ir/c1-26(2)37-21-28(5)22-38(27(3)4)42(37)47-41-29(6)24-45-25-39(41)46-44(47)36-14-10-13-35-34-20-19-33(23-40(34)48-43(35)36)32-17-15-31(16-18-32)30-11-8-7-9-12-30;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h7-13,15-27H,1-6H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3;.

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

iridium;7-methyl-1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 1060.45 g/mol, XLogP of 15.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;7-methyl-1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 164826398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).