[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium

C54H45GeIrN3O-2 — CID 156659447

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium (PubChem CID 156659447) has the molecular formula C54H45GeIrN3O-2 and a molecular weight of 1020.83 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium
• PubChem CID: 156659447
• Molecular Formula: C54H45GeIrN3O-2
• Molecular Weight: 1020.83 g/mol
• Exact Mass: 1022.27
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium
• SMILES: [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]c1c([2H])c(-c2ccccc2)c(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1[2H].[Ir]
• InChI: InChI=1S/C37H23N2O.C17H22GeN.Ir/c1-3-13-25(14-4-1)27-18-11-19-28(26-15-5-2-6-16-26)35(27)39-33-23-9-8-22-32(33)38-37(39)31-21-12-20-30-29-17-7-10-24-34(29)40-36(30)31;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h1-20,22-24H;6-9,11-13H,1-5H3;/q2*-1;/i11D,18D,19D;13D
• InChIKey: UUGULNXLOFBVKR-KWLVRGAASA-N
• XLogP: 13.94
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.83
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium (CID 156659447) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium is [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]c1c([2H])c(-c2ccccc2)c(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1[2H].[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium?

The InChIKey is UUGULNXLOFBVKR-KWLVRGAASA-N. The full InChI is InChI=1S/C37H23N2O.C17H22GeN.Ir/c1-3-13-25(14-4-1)27-18-11-19-28(26-15-5-2-6-16-26)35(27)39-33-23-9-8-22-32(33)38-37(39)31-21-12-20-30-29-17-7-10-24-34(29)40-36(30)31;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h1-20,22-24H;6-9,11-13H,1-5H3;/q2*-1;/i11D,18D,19D;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium has a molecular weight of 1020.83 g/mol, XLogP of 13.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;iridium is sourced from PubChem (CID 156659447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).