4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten

C55H66N13OsW+2 — CID 58545400

About 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten

4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten (PubChem CID 58545400) has the molecular formula C55H66N13OsW+2 and a molecular weight of 1283.29 g/mol. Its IUPAC name is 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten.

Molecular Properties

• Compound Name: 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten
• PubChem CID: 58545400
• Molecular Formula: C55H66N13OsW+2
• Molecular Weight: 1283.29 g/mol
• Exact Mass: 1284.47
• IUPAC Name: 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten
• SMILES: Cn1ccnc1-c1[n-]cc[n+]1C.Cn1ccnc1-c1nccn1C.[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCCc3ccnc(-c4ccccn4)c3)cc2)c2ccncc2)cc1.[Os+].[W]
• InChI: InChI=1S/C39H46N5.2C8H10N4.Os.W/c1-4-32(35-15-24-43(3)25-16-35)29-37(34-13-20-40-21-14-34)30-33(5-2)36-17-26-44(27-18-36)23-9-7-10-31-12-22-42-39(28-31)38-11-6-8-19-41-38;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h6,8,11-22,24-28,32-33,37H,3-5,7,9-10,23,29-30H2,1-2H3;2*3-6H,1-2H3;;/q+1;;;+1
• InChIKey: HQVJZSVNJGZQOS-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 117.87 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1283.29
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten?

The IUPAC name of 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten (CID 58545400) is 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten.

What is the SMILES notation for 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten?

The canonical SMILES for 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten is Cn1ccnc1-c1[n-]cc[n+]1C.Cn1ccnc1-c1nccn1C.[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCCc3ccnc(-c4ccccn4)c3)cc2)c2ccncc2)cc1.[Os+].[W].

What is the InChIKey of 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten?

The InChIKey is HQVJZSVNJGZQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N5.2C8H10N4.Os.W/c1-4-32(35-15-24-43(3)25-16-35)29-37(34-13-20-40-21-14-34)30-33(5-2)36-17-26-44(27-18-36)23-9-7-10-31-12-22-42-39(28-31)38-11-6-8-19-41-38;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h6,8,11-22,24-28,32-33,37H,3-5,7,9-10,23,29-30H2,1-2H3;2*3-6H,1-2H3;;/q+1;;;+1;.

What are the key properties of 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten?

4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten has a molecular weight of 1283.29 g/mol, XLogP of 8.71, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;1-methyl-2-(1-methylimidazol-1-ium-3-id-2-yl)imidazole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;osmium(1+);tungsten is sourced from PubChem (CID 58545400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).