[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+)

C62H54IrN3Si — CID 167332484

About [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+)

[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+) (PubChem CID 167332484) has the molecular formula C62H54IrN3Si and a molecular weight of 1063.45 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+).

Molecular Properties

• Compound Name: [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+)
• PubChem CID: 167332484
• Molecular Formula: C62H54IrN3Si
• Molecular Weight: 1063.45 g/mol
• Exact Mass: 1063.38
• IUPAC Name: [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+)
• SMILES: [2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir+3].[c-]1cc2c(cc1C1[N-]c3ccccc3N1c1ccc(-c3ccccc3)cc1)-c1ccccc1C2(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C44H30N2.C18H24NSi.Ir/c1-4-14-31(15-5-1)32-24-27-36(28-25-32)46-42-23-13-12-22-41(42)45-43(46)33-26-29-40-38(30-33)37-20-10-11-21-39(37)44(40,34-16-6-2-7-17-34)35-18-8-3-9-19-35;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-25,27-30,43H;6-9,12-14H,11H2,1-5H3;/q-2;-1;+3/i;11D2
• InChIKey: GTOFHAFBSONMLZ-YXZWVCJGSA-N
• XLogP: 15.66
• TPSA: 30.23 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1063.45
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+)?

The IUPAC name of [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+) (CID 167332484) is [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+).

What is the SMILES notation for [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+)?

The canonical SMILES for [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+) is [2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir+3].[c-]1cc2c(cc1C1[N-]c3ccccc3N1c1ccc(-c3ccccc3)cc1)-c1ccccc1C2(c1ccccc1)c1ccccc1.

What is the InChIKey of [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+)?

The InChIKey is GTOFHAFBSONMLZ-YXZWVCJGSA-N. The full InChI is InChI=1S/C44H30N2.C18H24NSi.Ir/c1-4-14-31(15-5-1)32-24-27-36(28-25-32)46-42-23-13-12-22-41(42)45-43(46)33-26-29-40-38(30-33)37-20-10-11-21-39(37)44(40,34-16-6-2-7-17-34)35-18-8-3-9-19-35;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-25,27-30,43H;6-9,12-14H,11H2,1-5H3;/q-2;-1;+3/i;11D2;.

What are the key properties of [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+)?

[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+) has a molecular weight of 1063.45 g/mol, XLogP of 15.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-diphenyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)-2H-benzimidazol-3-ide;iridium(3+) is sourced from PubChem (CID 167332484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).