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

C42H46ClN12Os — CID 162779747

IUPACchloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)
SMILESCCC(CC(CC(CC(C)n1ccnc1)n1ccnc1)n1ccnc1)n1ccnc1.Cl[Os].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H30N8.2C10H8N2.ClH.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;1H;/q;;;;+1/p-1
InChIKeyHDFLAFYSHZYPKW-UHFFFAOYSA-M
MW944.60 g/mol
LogP9.31
Rot. Bonds13

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

chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine) (PubChem CID 162779747) has the molecular formula C42H46ClN12Os and a molecular weight of 944.60 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).

Molecular Properties

Compound Namechloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)
PubChem CID162779747
Molecular FormulaC42H46ClN12Os
Molecular Weight944.60 g/mol
Exact Mass945.33
IUPAC Namechloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)
SMILESCCC(CC(CC(CC(C)n1ccnc1)n1ccnc1)n1ccnc1)n1ccnc1.Cl[Os].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H30N8.2C10H8N2.ClH.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;1H;/q;;;;+1/p-1
InChIKeyHDFLAFYSHZYPKW-UHFFFAOYSA-M
XLogP9.31
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500944.60
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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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)?
The IUPAC name of chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine) (CID 162779747) is chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine).
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)?
The canonical SMILES for chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine) is CCC(CC(CC(CC(C)n1ccnc1)n1ccnc1)n1ccnc1)n1ccnc1.Cl[Os].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)?
The InChIKey is HDFLAFYSHZYPKW-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H30N8.2C10H8N2.ClH.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;1H;/q;;;;+1/p-1.
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)?
chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine) has a molecular weight of 944.60 g/mol, XLogP of 9.31, 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) is sourced from PubChem (CID 162779747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).