chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride

C42H46Cl2N12Os- — CID 163514694

About chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride

chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride (PubChem CID 163514694) has the molecular formula C42H46Cl2N12Os- and a molecular weight of 980.05 g/mol. Its IUPAC name is chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride.

Molecular Properties

• Compound Name: chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride
• PubChem CID: 163514694
• Molecular Formula: C42H46Cl2N12Os-
• Molecular Weight: 980.05 g/mol
• Exact Mass: 980.30
• IUPAC Name: chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride
• SMILES: CCC(CC(CC(CC(C)n1ccnc1)n1ccnc1)n1ccnc1)n1ccnc1.Cl[Os].[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C22H30N8.2C10H8N2.2ClH.Os/c1-3-20(28-9-5-24-16-28)13-22(30-11-7-26-18-30)14-21(29-10-6-25-17-29)12-19(2)27-8-4-23-15-27;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h4-11,15-22H,3,12-14H2,1-2H3;2*1-8H;2*1H;/q;;;;;+1/p-2
• InChIKey: DFRLSXGBGKTNCW-UHFFFAOYSA-L
• XLogP: 6.32
• TPSA: 122.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	980.05
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride?

The IUPAC name of chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride (CID 163514694) is chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride.

What is the SMILES notation for chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride?

The canonical SMILES for chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride is CCC(CC(CC(CC(C)n1ccnc1)n1ccnc1)n1ccnc1)n1ccnc1.Cl[Os].[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride?

The InChIKey is DFRLSXGBGKTNCW-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H30N8.2C10H8N2.2ClH.Os/c1-3-20(28-9-5-24-16-28)13-22(30-11-7-26-18-30)14-21(29-10-6-25-17-29)12-19(2)27-8-4-23-15-27;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h4-11,15-22H,3,12-14H2,1-2H3;2*1-8H;2*1H;/q;;;;;+1/p-2.

What are the key properties of chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride?

chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride has a molecular weight of 980.05 g/mol, XLogP of 6.32, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride is sourced from PubChem (CID 163514694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).