chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten

C55H62ClN9O4OsW+3 — CID 59575063

About chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten

chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten (PubChem CID 59575063) has the molecular formula C55H62ClN9O4OsW+3 and a molecular weight of 1322.68 g/mol. Its IUPAC name is chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten.

Molecular Properties

• Compound Name: chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten
• PubChem CID: 59575063
• Molecular Formula: C55H62ClN9O4OsW+3
• Molecular Weight: 1322.68 g/mol
• Exact Mass: 1323.37
• IUPAC Name: chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten
• SMILES: COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.Cl[Os].[CH2-][n+]1ccc(C(CC)CC(CC(CC)C2=[C+]C=[N+](CCCn3ccnc3)C=C2)C2=[C+]C=NC=C2)cc1.[W]
• InChI: InChI=1S/C31H38N5.2C12H12N2O2.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;2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;;;/h7,9-11,13-15,18-22,25-27,31H,3-6,16-17,23-24H2,1-2H3;2*3-8H,1-2H3;1H;;/q+3;;;;+1;/p-1
• InChIKey: KLFYHLBFCQWNJI-UHFFFAOYSA-M
• XLogP: 10.49
• TPSA: 125.55 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1322.68
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten?

The IUPAC name of chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten (CID 59575063) is chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten.

What is the SMILES notation for chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten?

The canonical SMILES for chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten is COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.Cl[Os].[CH2-][n+]1ccc(C(CC)CC(CC(CC)C2=[C+]C=[N+](CCCn3ccnc3)C=C2)C2=[C+]C=NC=C2)cc1.[W].

What is the InChIKey of chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten?

The InChIKey is KLFYHLBFCQWNJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H38N5.2C12H12N2O2.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;2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;;;/h7,9-11,13-15,18-22,25-27,31H,3-6,16-17,23-24H2,1-2H3;2*3-8H,1-2H3;1H;;/q+3;;;;+1;/p-1.

What are the key properties of chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten?

chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten has a molecular weight of 1322.68 g/mol, XLogP of 10.49, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for chloroosmium;1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-(3H-pyridin-3-ylium-4-yl)nonan-3-yl]-3H-pyridin-1-ium-3-ylium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);tungsten is sourced from PubChem (CID 59575063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).