2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide

C67H50Ir5N13O3S-5 — CID 159385176

About 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide

2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide (PubChem CID 159385176) has the molecular formula C67H50Ir5N13O3S-5 and a molecular weight of 2078.38 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide.

Molecular Properties

• Compound Name: 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide
• PubChem CID: 159385176
• Molecular Formula: C67H50Ir5N13O3S-5
• Molecular Weight: 2078.38 g/mol
• Exact Mass: 2081.21
• IUPAC Name: 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide
• SMILES: Cc1nc(-c2ccccn2)[n-]c1C.O=C([N-]SOOc1ccccc1)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2cc3ccccc3[n-]2)nc1.c1ccc(-c2nc(-c3ccccn3)[n-]c2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
• InChI: InChI=1S/C20H14N3.C13H9N2.C12H8N3.C12H10N2O3S.C10H10N3.5Ir/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-20(22-18)17-13-7-8-14-21-17;1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;15-12(11-8-4-5-9-13-11)14-18-17-16-10-6-2-1-3-7-10;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;;;;;/h1-14H;1-9H;1-8H;1-9H,(H,14,15);3-6H,1-2H3;;;;;/q3*-1;;-1;;;;;/p-1
• InChIKey: VZTZDRFBCQPTSG-UHFFFAOYSA-M
• XLogP: 14.42
• TPSA: 209.15 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2078.38
LogP ≤ 5	14.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide?

The IUPAC name of 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide (CID 159385176) is 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide.

What is the SMILES notation for 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide?

The canonical SMILES for 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide is Cc1nc(-c2ccccn2)[n-]c1C.O=C([N-]SOOc1ccccc1)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2cc3ccccc3[n-]2)nc1.c1ccc(-c2nc(-c3ccccn3)[n-]c2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.

What is the InChIKey of 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide?

The InChIKey is VZTZDRFBCQPTSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H14N3.C13H9N2.C12H8N3.C12H10N2O3S.C10H10N3.5Ir/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-20(22-18)17-13-7-8-14-21-17;1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;15-12(11-8-4-5-9-13-11)14-18-17-16-10-6-2-1-3-7-10;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;;;;;/h1-14H;1-9H;1-8H;1-9H,(H,14,15);3-6H,1-2H3;;;;;/q3*-1;;-1;;;;;/p-1.

What are the key properties of 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide?

2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide has a molecular weight of 2078.38 g/mol, XLogP of 14.42, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;pentakis(iridium);phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylindol-1-ide is sourced from PubChem (CID 159385176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).