4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid

C55H48GeIrN2O4-2 — CID 166578336

About 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid

4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid (PubChem CID 166578336) has the molecular formula C55H48GeIrN2O4-2 and a molecular weight of 1065.83 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid.

Molecular Properties

• Compound Name: 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid
• PubChem CID: 166578336
• Molecular Formula: C55H48GeIrN2O4-2
• Molecular Weight: 1065.83 g/mol
• Exact Mass: 1067.25
• IUPAC Name: 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid
• SMILES: CC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cc(C(=O)OO)c(-c3ccccc3)c2)nc1.[Ir]
• InChI: InChI=1S/C34H28NO.C21H20GeNO3.Ir/c1-34(2,3)22-23-17-18-35-31(19-23)28-16-10-15-27-30-21-26(24-11-6-4-7-12-24)20-29(33(30)36-32(27)28)25-13-8-5-9-14-25;1-22(2,3)17-10-12-20(23-14-17)16-9-11-18(21(24)26-25)19(13-16)15-7-5-4-6-8-15;/h4-15,17-21H,22H2,1-3H3;4-8,10-14,25H,1-3H3;/q2*-1
• InChIKey: MYGORZFUCMJCSK-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 85.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.83
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid?

The IUPAC name of 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid (CID 166578336) is 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid.

What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid?

The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid is CC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cc(C(=O)OO)c(-c3ccccc3)c2)nc1.[Ir].

What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid?

The InChIKey is MYGORZFUCMJCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28NO.C21H20GeNO3.Ir/c1-34(2,3)22-23-17-18-35-31(19-23)28-16-10-15-27-30-21-26(24-11-6-4-7-12-24)20-29(33(30)36-32(27)28)25-13-8-5-9-14-25;1-22(2,3)17-10-12-20(23-14-17)16-9-11-18(21(24)26-25)19(13-16)15-7-5-4-6-8-15;/h4-15,17-21H,22H2,1-3H3;4-8,10-14,25H,1-3H3;/q2*-1;.

What are the key properties of 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid?

4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid has a molecular weight of 1065.83 g/mol, XLogP of 13.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid is sourced from PubChem (CID 166578336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).