bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate

C84H66F36N18O3P6Ru4 — CID 139142637

IUPACbis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate
SMILESCC#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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[O-2].[O-2].[O-2].[Ru+3].[Ru+3].[Ru+3].[Ru+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C15H11N3.2C10H8N2.2C2H3N.6F6P.3O.4Ru/c4*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;6*1-7(2,3,4,5)6;;;;;;;/h4*1-11H;2*1-8H;2*1H3;;;;;;;;;;;;;/q;;;;;;;;6*-1;3*-2;4*+3
InChIKeyXOPQZIICFIFYSZ-UHFFFAOYSA-N
MW2649.63 g/mol
LogP38.10
Rot. Bonds10

About bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate

bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate (PubChem CID 139142637) has the molecular formula C84H66F36N18O3P6Ru4 and a molecular weight of 2649.63 g/mol. Its IUPAC name is bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate
PubChem CID139142637
Molecular FormulaC84H66F36N18O3P6Ru4
Molecular Weight2649.63 g/mol
Exact Mass2651.96
IUPAC Namebis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate
SMILESCC#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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[O-2].[O-2].[O-2].[Ru+3].[Ru+3].[Ru+3].[Ru+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C15H11N3.2C10H8N2.2C2H3N.6F6P.3O.4Ru/c4*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;6*1-7(2,3,4,5)6;;;;;;;/h4*1-11H;2*1-8H;2*1H3;;;;;;;;;;;;;/q;;;;;;;;6*-1;3*-2;4*+3
InChIKeyXOPQZIICFIFYSZ-UHFFFAOYSA-N
XLogP38.10
TPSA339.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002649.63
LogP ≤ 538.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate with MolForge

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Related Compounds

[(S)-(pmpp)Mn(CF3SO3)2
CID 139040573
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
bis(europium(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrakis(trifluoromethanesulfonate);dihydroxide
CID 139129491
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)(Otf)3).CH3CN
CID 139152415
(La(tpen)(OH))2(Otf)4.3CH3CN
CID 139152416
Cerium(3+);bis(2,6-dipyridin-2-ylpyridine);tris(trifluoromethanesulfonate)
CID 139153054
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(3+));tetrakis(trifluoromethanesulfonate);peroxide
CID 139157903
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate?
The IUPAC name of bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate (CID 139142637) is bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate?
The canonical SMILES for bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate is 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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[O-2].[O-2].[O-2].[Ru+3].[Ru+3].[Ru+3].[Ru+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate?
The InChIKey is XOPQZIICFIFYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H11N3.2C10H8N2.2C2H3N.6F6P.3O.4Ru/c4*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;6*1-7(2,3,4,5)6;;;;;;;/h4*1-11H;2*1-8H;2*1H3;;;;;;;;;;;;;/q;;;;;;;;6*-1;3*-2;4*+3.
What are the key properties of bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate?
bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate has a molecular weight of 2649.63 g/mol, XLogP of 38.10, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tris(oxygen(2-));bis(2-pyridin-2-ylpyridine);tetrakis(ruthenium(3+));hexahexafluorophosphate is sourced from PubChem (CID 139142637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).