tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate

C68H56F24N16P4Ru2 — CID 139056397

IUPACtetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESCC#N.CC#N.CC#N.CC#N.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.[Ru+2].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/4C15H11N3.4C2H3N.4F6P.2Ru/c4*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;4*1-2-3;4*1-7(2,3,4,5)6;;/h4*1-11H;4*1H3;;;;;;/q;;;;;;;;4*-1;2*+2
InChIKeyNXZXTWNVVPMCKE-UHFFFAOYSA-N
MW1879.30 g/mol
LogP28.47
Rot. Bonds8

About tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate

tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate (PubChem CID 139056397) has the molecular formula C68H56F24N16P4Ru2 and a molecular weight of 1879.30 g/mol. Its IUPAC name is tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate.

Molecular Properties

Compound Nametetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
PubChem CID139056397
Molecular FormulaC68H56F24N16P4Ru2
Molecular Weight1879.30 g/mol
Exact Mass1880.15
IUPAC Nametetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESCC#N.CC#N.CC#N.CC#N.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.[Ru+2].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/4C15H11N3.4C2H3N.4F6P.2Ru/c4*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;4*1-2-3;4*1-7(2,3,4,5)6;;/h4*1-11H;4*1H3;;;;;;/q;;;;;;;;4*-1;2*+2
InChIKeyNXZXTWNVVPMCKE-UHFFFAOYSA-N
XLogP28.47
TPSA249.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001879.30
LogP ≤ 528.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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
Hexakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tetrakis(rhodium);tetrakis(trifluoromethanesulfonate)
CID 139106827
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(2+));tetrakis(trifluoromethanesulfonate)
CID 139106828
Tris(acetonitrile);bis(erbium(3+));bis(1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane);hexakis(trifluoromethanesulfonate)
CID 139132379
Tris(acetonitrile);bis(terbium(3+));bis(1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane);hexakis(trifluoromethanesulfonate)
CID 139132380
[Mn2III,IV(O)2(terpy)2(CF3CO2)2](ClO4).CH3CN
CID 139132892
(La(tpen)(OH))2(Otf)4.3CH3CN
CID 139152416
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(3+));tetrakis(trifluoromethanesulfonate);peroxide
CID 139157903

Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The IUPAC name of tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate (CID 139056397) is tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate.
What is the SMILES notation for tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The canonical SMILES for tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate is CC#N.CC#N.CC#N.CC#N.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.[Ru+2].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The InChIKey is NXZXTWNVVPMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H11N3.4C2H3N.4F6P.2Ru/c4*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;4*1-2-3;4*1-7(2,3,4,5)6;;/h4*1-11H;4*1H3;;;;;;/q;;;;;;;;4*-1;2*+2.
What are the key properties of tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate has a molecular weight of 1879.30 g/mol, XLogP of 28.47, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate is sourced from PubChem (CID 139056397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).