bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate

C66H60F24N16P4Ru2S6 — CID 139059573

IUPACbis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESCC#N.CC#N.Cc1ccnc(SCc2ccccn2)n1.Cc1ccnc(SCc2ccccn2)n1.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(Sc2ccccn2)nc1.c1ccc(Sc2ccccn2)nc1.c1ccc(Sc2ccccn2)nc1.c1ccc(Sc2ccccn2)nc1
InChIInChI=1S/2C11H11N3S.4C10H8N2S.2C2H3N.4F6P.2Ru/c2*1-9-5-7-13-11(14-9)15-8-10-4-2-3-6-12-10;4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*1-2-3;4*1-7(2,3,4,5)6;;/h2*2-7H,8H2,1H3;4*1-8H;2*1H3;;;;;;/q;;;;;;;;4*-1;2*+2
InChIKeyVGJXGUYFMCLJIP-UHFFFAOYSA-N
MW2051.71 g/mol
LogP30.04
Rot. Bonds14

About bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate

bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate (PubChem CID 139059573) has the molecular formula C66H60F24N16P4Ru2S6 and a molecular weight of 2051.71 g/mol. Its IUPAC name is bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
PubChem CID139059573
Molecular FormulaC66H60F24N16P4Ru2S6
Molecular Weight2051.71 g/mol
Exact Mass2052.02
IUPAC Namebis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESCC#N.CC#N.Cc1ccnc(SCc2ccccn2)n1.Cc1ccnc(SCc2ccccn2)n1.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(Sc2ccccn2)nc1.c1ccc(Sc2ccccn2)nc1.c1ccc(Sc2ccccn2)nc1.c1ccc(Sc2ccccn2)nc1
InChIInChI=1S/2C11H11N3S.4C10H8N2S.2C2H3N.4F6P.2Ru/c2*1-9-5-7-13-11(14-9)15-8-10-4-2-3-6-12-10;4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*1-2-3;4*1-7(2,3,4,5)6;;/h2*2-7H,8H2,1H3;4*1-8H;2*1H3;;;;;;/q;;;;;;;;4*-1;2*+2
InChIKeyVGJXGUYFMCLJIP-UHFFFAOYSA-N
XLogP30.04
TPSA228.04 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002051.71
LogP ≤ 530.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The IUPAC name of bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate (CID 139059573) is bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The canonical SMILES for bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate is CC#N.CC#N.Cc1ccnc(SCc2ccccn2)n1.Cc1ccnc(SCc2ccccn2)n1.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(Sc2ccccn2)nc1.c1ccc(Sc2ccccn2)nc1.c1ccc(Sc2ccccn2)nc1.c1ccc(Sc2ccccn2)nc1.
What is the InChIKey of bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The InChIKey is VGJXGUYFMCLJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11N3S.4C10H8N2S.2C2H3N.4F6P.2Ru/c2*1-9-5-7-13-11(14-9)15-8-10-4-2-3-6-12-10;4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*1-2-3;4*1-7(2,3,4,5)6;;/h2*2-7H,8H2,1H3;4*1-8H;2*1H3;;;;;;/q;;;;;;;;4*-1;2*+2.
What are the key properties of bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate has a molecular weight of 2051.71 g/mol, XLogP of 30.04, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(4-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine);tetrakis(2-pyridin-2-ylsulfanylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate is sourced from PubChem (CID 139059573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).