tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate

C180H144F72N36Os3P12Ru3 — CID 139120379

IUPACtris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Os+2].[Os+2].[Os+2].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/18C10H8N2.12F6P.3Os.3Ru/c18*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12*1-7(2,3,4,5)6;;;;;;/h18*1-8H;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;12*-1;6*+2
InChIKeyKIYQGZUVXDIAHL-UHFFFAOYSA-N
MW5424.83 g/mol
LogP79.16
Rot. Bonds18

About tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate

tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate (PubChem CID 139120379) has the molecular formula C180H144F72N36Os3P12Ru3 and a molecular weight of 5424.83 g/mol. Its IUPAC name is tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate.

Molecular Properties

Compound Nametris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate
PubChem CID139120379
Molecular FormulaC180H144F72N36Os3P12Ru3
Molecular Weight5424.83 g/mol
Exact Mass5430.41
IUPAC Nametris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Os+2].[Os+2].[Os+2].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/18C10H8N2.12F6P.3Os.3Ru/c18*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12*1-7(2,3,4,5)6;;;;;;/h18*1-8H;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;12*-1;6*+2
InChIKeyKIYQGZUVXDIAHL-UHFFFAOYSA-N
XLogP79.16
TPSA464.04 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds18
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005424.83
LogP ≤ 579.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

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Related Compounds

Tris(2,2'-bipyridine)ruthenium(II) Bis(hexafluorophosphate)
CID 15198703
Tris(2,2'-bipyridyl-d8)ruthenium(II) hexafluorophosphate
CID 71311090
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893

Frequently Asked Questions

What is the IUPAC name of tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate?
The IUPAC name of tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate (CID 139120379) is tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate.
What is the SMILES notation for tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate?
The canonical SMILES for tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Os+2].[Os+2].[Os+2].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate?
The InChIKey is KIYQGZUVXDIAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/18C10H8N2.12F6P.3Os.3Ru/c18*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12*1-7(2,3,4,5)6;;;;;;/h18*1-8H;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;12*-1;6*+2.
What are the key properties of tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate?
tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate has a molecular weight of 5424.83 g/mol, XLogP of 79.16, 18 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tris(osmium(2+));octadecakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));dodecahexafluorophosphate is sourced from PubChem (CID 139120379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).