(4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)

C51H54IrN3OSi — CID 167332426

About (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)

(4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) (PubChem CID 167332426) has the molecular formula C51H54IrN3OSi and a molecular weight of 945.32 g/mol. Its IUPAC name is (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+).

Molecular Properties

• Compound Name: (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)
• PubChem CID: 167332426
• Molecular Formula: C51H54IrN3OSi
• Molecular Weight: 945.32 g/mol
• Exact Mass: 945.37
• IUPAC Name: (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)
• SMILES: CC(C)c1cccc(C(C)C)c1N1c2ccccc2[N-]C1c1[c-]cc2oc3ccccc3c2c1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCCC1.[Ir+3]
• InChI: InChI=1S/C31H28N2O.C20H26NSi.Ir/c1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29;1-22(2,3)20-15-21-19(17-12-8-5-9-13-17)14-18(20)16-10-6-4-7-11-16;/h5-15,17-20,31H,1-4H3;5,8-9,12,14-16H,4,6-7,10-11H2,1-3H3;/q-2;-1;+3
• InChIKey: VQAARYXRBPGXJT-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.32
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

The IUPAC name of (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) (CID 167332426) is (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+).

What is the SMILES notation for (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

The canonical SMILES for (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) is CC(C)c1cccc(C(C)C)c1N1c2ccccc2[N-]C1c1[c-]cc2oc3ccccc3c2c1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCCC1.[Ir+3].

What is the InChIKey of (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

The InChIKey is VQAARYXRBPGXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O.C20H26NSi.Ir/c1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29;1-22(2,3)20-15-21-19(17-12-8-5-9-13-17)14-18(20)16-10-6-4-7-11-16;/h5-15,17-20,31H,1-4H3;5,8-9,12,14-16H,4,6-7,10-11H2,1-3H3;/q-2;-1;+3.

What are the key properties of (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

(4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) has a molecular weight of 945.32 g/mol, XLogP of 14.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) is sourced from PubChem (CID 167332426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).