1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium

C66H60FIrN3OSi-2 — CID 170537765

About 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium

1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 170537765) has the molecular formula C66H60FIrN3OSi-2 and a molecular weight of 1152.54 g/mol. Its IUPAC name is 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 170537765
• Molecular Formula: C66H60FIrN3OSi-2
• Molecular Weight: 1152.54 g/mol
• Exact Mass: 1152.43
• IUPAC Name: 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2ccc(-c3ccccc3)cc2)cc(C([2H])(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.[Ir]
• InChI: InChI=1S/C49H39N2O.C17H21FNSi.Ir/c1-31(2)42-28-38(36-24-22-35(23-25-36)33-14-7-5-8-15-33)29-43(32(3)4)47(42)51-45-21-12-11-20-44(45)50-49(51)41-19-13-18-40-39-27-26-37(30-46(39)52-48(40)41)34-16-9-6-10-17-34;1-12(2)15-10-16(13-6-8-14(18)9-7-13)19-11-17(15)20(3,4)5;/h5-18,20-32H,1-4H3;6,8-12H,1-5H3;/q2*-1;/i31D,32D
• InChIKey: CFHKUKZQFJWKBZ-GVHQMPQYSA-N
• XLogP: 17.99
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1152.54
LogP ≤ 5	17.99
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-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium (CID 170537765) is 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium is CC(C)c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2ccc(-c3ccccc3)cc2)cc(C([2H])(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.[Ir].

What is the InChIKey of 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is CFHKUKZQFJWKBZ-GVHQMPQYSA-N. The full InChI is InChI=1S/C49H39N2O.C17H21FNSi.Ir/c1-31(2)42-28-38(36-24-22-35(23-25-36)33-14-7-5-8-15-33)29-43(32(3)4)47(42)51-45-21-12-11-20-44(45)50-49(51)41-19-13-18-40-39-27-26-37(30-46(39)52-48(40)41)34-16-9-6-10-17-34;1-12(2)15-10-16(13-6-8-14(18)9-7-13)19-11-17(15)20(3,4)5;/h5-18,20-32H,1-4H3;6,8-12H,1-5H3;/q2*-1;/i31D,32D;;.

What are the key properties of 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium?

1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1152.54 g/mol, XLogP of 17.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 170537765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).