bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride

C49H34Cl4F9N14O9RhRu2S3 — CID 10441613

IUPACbis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cl-].[Cl-].[Cl-].[Cl-].[Rh+3].[Ru+2].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/2C15H11N3.2C8H6N4.3CHF3O3S.4ClH.Rh.2Ru/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-3-9-7(10-4-1)8-11-5-2-6-12-8;3*2-1(3,4)8(5,6)7;;;;;;;/h2*1-11H;2*1-6H;3*(H,5,6,7);4*1H;;;/q;;;;;;;;;;;+3;2*+2/p-7
InChIKeyVHWFSVJAUNZFGS-UHFFFAOYSA-G
MW1676.94 g/mol
LogP-3.56
Rot. Bonds6

About bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride

bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride (PubChem CID 10441613) has the molecular formula C49H34Cl4F9N14O9RhRu2S3 and a molecular weight of 1676.94 g/mol. Its IUPAC name is bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride.

Molecular Properties

Compound Namebis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride
PubChem CID10441613
Molecular FormulaC49H34Cl4F9N14O9RhRu2S3
Molecular Weight1676.94 g/mol
Exact Mass1675.75
IUPAC Namebis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cl-].[Cl-].[Cl-].[Cl-].[Rh+3].[Ru+2].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/2C15H11N3.2C8H6N4.3CHF3O3S.4ClH.Rh.2Ru/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-3-9-7(10-4-1)8-11-5-2-6-12-8;3*2-1(3,4)8(5,6)7;;;;;;;/h2*1-11H;2*1-6H;3*(H,5,6,7);4*1H;;;/q;;;;;;;;;;;+3;2*+2/p-7
InChIKeyVHWFSVJAUNZFGS-UHFFFAOYSA-G
XLogP-3.56
TPSA352.06 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds6
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001676.94
LogP ≤ 5-3.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

hexakis(acetonitrile);4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine;tris(lead(2+));hexakis(trifluoromethanesulfonate);hydrate
CID 139123009
zinc;methanol;bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)
CID 139156244
[Cu2(Ph)DPFN](NTf2)2,n(o-C6H4F2)
CID 168334508
oxidanium;4-N,6-N-dimethyl-4-N,6-N-bis[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]pyrimidine-4,6-diamine;bis(lead(2+));nitromethane;tetrakis(trifluoromethanesulfonate)
CID 168350473
Iron(2+), bis[2,6-di(2-pyridinyl-kappaN)-4-(2-pyridinyl)-1,3,5-triazine-kappaN1]-, (OC-6-1'2)-, sulfate (1:1)
CID 110383
2-N-(1-methylsulfonylpiperidin-4-yl)-4-N-[2-(trifluoromethyl)pyridin-4-yl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 89684097
ethane;methanesulfinic acid;molecular hydrogen;2-N-piperidin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 145606212
4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 158254835
2-(2-Methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158435694
Chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine
CID 139191846
2,6-Dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate
CID 139249260
Di-mu-sulfato-kappa^3^O,O':O'';kappa^3^O,O':O''-bis{aqua[2,4,6-tris(2-pyridyl)-1,3,5-triazine-kappa^3^N^1^,N^2^,N^6^]manganese(II)} tetrahydrate
CID 168308919

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride?
The IUPAC name of bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride (CID 10441613) is bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride.
What is the SMILES notation for bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride?
The canonical SMILES for bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cl-].[Cl-].[Cl-].[Cl-].[Rh+3].[Ru+2].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1.c1cnc(-c2ncccn2)nc1.
What is the InChIKey of bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride?
The InChIKey is VHWFSVJAUNZFGS-UHFFFAOYSA-G. The full InChI is InChI=1S/2C15H11N3.2C8H6N4.3CHF3O3S.4ClH.Rh.2Ru/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-3-9-7(10-4-1)8-11-5-2-6-12-8;3*2-1(3,4)8(5,6)7;;;;;;;/h2*1-11H;2*1-6H;3*(H,5,6,7);4*1H;;;/q;;;;;;;;;;;+3;2*+2/p-7.
What are the key properties of bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride?
bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride has a molecular weight of 1676.94 g/mol, XLogP of -3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dipyridin-2-ylpyridine);bis(2-pyrimidin-2-ylpyrimidine);rhodium(3+);bis(ruthenium(2+));tris(trifluoromethanesulfonate);tetrachloride is sourced from PubChem (CID 10441613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).