acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate

C36H25ClF6Mn2N7O10-4 — CID 139132892

IUPACacetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate
SMILESCC#N.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Mn+3].[Mn].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2C2HF3O2.C2H3N.ClHO4.2Mn.2O/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*3-2(4,5)1(6)7;1-2-3;2-1(3,4)5;;;;/h2*1-11H;2*(H,6,7);1H3;(H,2,3,4,5);;;;/q;;;;;;;+3;2*-2/p-3
InChIKeyLFTUTLCYSIUARU-UHFFFAOYSA-K
MW974.95 g/mol
LogP0.54
Rot. Bonds4

About acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate

acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate (PubChem CID 139132892) has the molecular formula C36H25ClF6Mn2N7O10-4 and a molecular weight of 974.95 g/mol. Its IUPAC name is acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate.

Molecular Properties

Compound Nameacetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate
PubChem CID139132892
Molecular FormulaC36H25ClF6Mn2N7O10-4
Molecular Weight974.95 g/mol
Exact Mass974.00
IUPAC Nameacetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate
SMILESCC#N.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Mn+3].[Mn].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2C2HF3O2.C2H3N.ClHO4.2Mn.2O/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*3-2(4,5)1(6)7;1-2-3;2-1(3,4)5;;;;/h2*1-11H;2*(H,6,7);1H3;(H,2,3,4,5);;;;/q;;;;;;;+3;2*-2/p-3
InChIKeyLFTUTLCYSIUARU-UHFFFAOYSA-K
XLogP0.54
TPSA330.63 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.95
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Related Compounds

bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)
CID 139055461
di-mu-trifluoroacetato-mu~3~-oxo-bis[(2,2'-bipyridine-kappa^2^N,N')(trifluoroacetato-kappaO)iron(III)]
CID 139058954
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
(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
((2,2'-bipyridine)silver(i)(Trifluoroacetate))
CID 139160984
Acetonitrile;chromium(3+);2,6-dipyridin-2-ylpyridine;2,3,5,6-tetrapyridin-2-ylpyrazine;tris(trifluoromethanesulfonate)
CID 139171097
Dioxidanium;2-[[6-[2-[6-[[carboxylatomethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]acetate;bis(iron(4+));oxygen(2-);bis(trifluoromethanesulfonate);dihydrate
CID 168302432
acetonitrile;1,1-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;iron(3+);bis(trifluoromethanesulfonate)
CID 168333115
bis(acetonitrile);iron(3+);bis(iron(4+));tris(oxygen(2-));tris(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 168337013

Frequently Asked Questions

What is the IUPAC name of acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate?
The IUPAC name of acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate (CID 139132892) is acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate.
What is the SMILES notation for acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate?
The canonical SMILES for acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate is CC#N.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Mn+3].[Mn].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate?
The InChIKey is LFTUTLCYSIUARU-UHFFFAOYSA-K. The full InChI is InChI=1S/2C15H11N3.2C2HF3O2.C2H3N.ClHO4.2Mn.2O/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*3-2(4,5)1(6)7;1-2-3;2-1(3,4)5;;;;/h2*1-11H;2*(H,6,7);1H3;(H,2,3,4,5);;;;/q;;;;;;;+3;2*-2/p-3.
What are the key properties of acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate?
acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate has a molecular weight of 974.95 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;bis(2,6-dipyridin-2-ylpyridine);manganese;manganese(3+);bis(oxygen(2-));bis(2,2,2-trifluoroacetate);perchlorate is sourced from PubChem (CID 139132892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).