chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten

C55H64ClN9O2OsW+ — CID 58544424

About chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten

chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten (PubChem CID 58544424) has the molecular formula C55H64ClN9O2OsW+ and a molecular weight of 1292.70 g/mol. Its IUPAC name is chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten.

Molecular Properties

• Compound Name: chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten
• PubChem CID: 58544424
• Molecular Formula: C55H64ClN9O2OsW+
• Molecular Weight: 1292.70 g/mol
• Exact Mass: 1293.40
• IUPAC Name: chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten
• SMILES: COc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os].[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCn3ccnc3)cc2)c2ccncc2)cc1.[W]
• InChI: InChI=1S/C31H40N5.C12H12N2O2.C12H12N2.ClH.Os.W/c1-4-26(29-9-18-34(3)19-10-29)23-31(28-7-13-32-14-8-28)24-27(5-2)30-11-20-35(21-12-30)16-6-17-36-22-15-33-25-36;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h7-15,18-22,25-27,31H,3-6,16-17,23-24H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;1H;;/q+1;;;;+1;/p-1
• InChIKey: XRGZKEOSYDDMKV-UHFFFAOYSA-M
• XLogP: 11.44
• TPSA: 108.49 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1292.70
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten?

The IUPAC name of chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten (CID 58544424) is chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten.

What is the SMILES notation for chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten?

The canonical SMILES for chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten is COc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os].[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCn3ccnc3)cc2)c2ccncc2)cc1.[W].

What is the InChIKey of chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten?

The InChIKey is XRGZKEOSYDDMKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H40N5.C12H12N2O2.C12H12N2.ClH.Os.W/c1-4-26(29-9-18-34(3)19-10-29)23-31(28-7-13-32-14-8-28)24-27(5-2)30-11-20-35(21-12-30)16-6-17-36-22-15-33-25-36;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h7-15,18-22,25-27,31H,3-6,16-17,23-24H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;1H;;/q+1;;;;+1;/p-1.

What are the key properties of chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten?

chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten has a molecular weight of 1292.70 g/mol, XLogP of 11.44, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tungsten is sourced from PubChem (CID 58544424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).