1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

C68H67IrN3OSi-2 — CID 156658912

About 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156658912) has the molecular formula C68H67IrN3OSi-2 and a molecular weight of 1163.61 g/mol. Its IUPAC name is 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156658912
• Molecular Formula: C68H67IrN3OSi-2
• Molecular Weight: 1163.61 g/mol
• Exact Mass: 1163.48
• IUPAC Name: 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)c1cc(C(C)(C)C)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccc(-c4cccc(-c5ccccc5)c4)cc23)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]ccc3ccccc23)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C47H43N2O.C21H24NSi.Ir/c1-29(2)38-27-35(47(5,6)7)28-39(30(3)4)44(38)49-42-22-12-11-21-41(42)48-46(49)37-20-14-19-36-40-26-34(23-24-43(40)50-45(36)37)33-18-13-17-32(25-33)31-15-9-8-10-16-31;1-15(2)19-13-20(22-14-21(19)23(3,4)5)18-12-8-10-16-9-6-7-11-17(16)18;/h8-19,21-30H,1-7H3;6-11,13-15H,1-5H3;/q2*-1;/i;15D
• InChIKey: RDXNHNSFGFCDCH-OKOLXXSWSA-N
• XLogP: 18.64
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1163.61
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 156658912) is 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is CC(C)c1cc(C(C)(C)C)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccc(-c4cccc(-c5ccccc5)c4)cc23)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]ccc3ccccc23)ncc1[Si](C)(C)C.[Ir].

What is the InChIKey of 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is RDXNHNSFGFCDCH-OKOLXXSWSA-N. The full InChI is InChI=1S/C47H43N2O.C21H24NSi.Ir/c1-29(2)38-27-35(47(5,6)7)28-39(30(3)4)44(38)49-42-22-12-11-21-41(42)48-46(49)37-20-14-19-36-40-26-34(23-24-43(40)50-45(36)37)33-18-13-17-32(25-33)31-15-9-8-10-16-31;1-15(2)19-13-20(22-14-21(19)23(3,4)5)18-12-8-10-16-9-6-7-11-17(16)18;/h8-19,21-30H,1-7H3;6-11,13-15H,1-5H3;/q2*-1;/i;15D;.

What are the key properties of 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1163.61 g/mol, XLogP of 18.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156658912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).