bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate

C60H64Cl2Mn4N8O20 — CID 139132985

IUPACbis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate
SMILESC1CCOC1.C1CCOC1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Mn+2].[Mn+2].[Mn+3].[Mn+3].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1.c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/2C22H18N4.2C4H8O.4C2H4O2.2ClHO4.4Mn.2O/c2*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;2*1-2-4-5-3-1;4*1-2(3)4;2*2-1(3,4)5;;;;;;/h2*1-12,15-16H,13-14H2;2*1-4H2;4*1H3,(H,3,4);2*(H,2,3,4,5);;;;;;/q;;;;;;;;;;2*+2;2*+3;2*-2/p-6
InChIKeyPBRFMOUXIZEMIQ-UHFFFAOYSA-H
MW1507.87 g/mol
LogP-4.37
Rot. Bonds10

About bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate

bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate (PubChem CID 139132985) has the molecular formula C60H64Cl2Mn4N8O20 and a molecular weight of 1507.87 g/mol. Its IUPAC name is bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate.

Molecular Properties

Compound Namebis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate
PubChem CID139132985
Molecular FormulaC60H64Cl2Mn4N8O20
Molecular Weight1507.87 g/mol
Exact Mass1506.11
IUPAC Namebis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate
SMILESC1CCOC1.C1CCOC1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Mn+2].[Mn+2].[Mn+3].[Mn+3].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1.c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/2C22H18N4.2C4H8O.4C2H4O2.2ClHO4.4Mn.2O/c2*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;2*1-2-4-5-3-1;4*1-2(3)4;2*2-1(3,4)5;;;;;;/h2*1-12,15-16H,13-14H2;2*1-4H2;4*1H3,(H,3,4);2*(H,2,3,4,5);;;;;;/q;;;;;;;;;;2*+2;2*+3;2*-2/p-6
InChIKeyPBRFMOUXIZEMIQ-UHFFFAOYSA-H
XLogP-4.37
TPSA523.58 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001507.87
LogP ≤ 5-4.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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Related Compounds

[Mn2III,IV(O)2(terpy)2(CF3CO2)2](ClO4).CH3CN
CID 139132892
dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate
CID 139045230
bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);bis(manganese(2+));tetraperchlorate
CID 139045232
bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate
CID 139045236
bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate
CID 139045238
Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(mu-oxalato)ruthenate(III)
CID 139056696
Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(mu-oxalato)rhodate(III)
CID 139056697
2,2'-bipyridyl meso-oxolane-3,4-diolato(2-) palladium(II) 6.5-hydrate
CID 139057055
Pentakis(2,6-dipyridin-2-ylpyridine);pentakis(lead(2+));decaperchlorate
CID 139060571
Tetrakis(2,2'-bipyridine)-1kappa^4^N,N';4kappa^4^N,N'-{mu~4~-N,N'-bis[3-(2-oxidoethylamino)propyl]oxamidato(4-)-1:2:3:4kappaO:kappa^3^N,N',O':kappa^3^O'', N'',N''':kappaO'''}tetracopper(II) tetrakis(perchlorate)
CID 139060981
Di-mu-acetato-kappa^4^O:O'-bis[bis(2,2'-bipyridine-kappa^2^N,N')manganese(II)] bis(perchlorate)
CID 139068678
Bis[N-ethyl-N'-(pyridin-2-ylmethylene)ethane-1,2-diamine]nickel(II) bis(perchlorate)
CID 139072541

Frequently Asked Questions

What is the IUPAC name of bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate?
The IUPAC name of bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate (CID 139132985) is bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate.
What is the SMILES notation for bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate?
The canonical SMILES for bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate is C1CCOC1.C1CCOC1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Mn+2].[Mn+2].[Mn+3].[Mn+3].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1.c1ccc(-c2cccc(CCc3cccc(-c4ccccn4)n3)n2)nc1.
What is the InChIKey of bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate?
The InChIKey is PBRFMOUXIZEMIQ-UHFFFAOYSA-H. The full InChI is InChI=1S/2C22H18N4.2C4H8O.4C2H4O2.2ClHO4.4Mn.2O/c2*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;2*1-2-4-5-3-1;4*1-2(3)4;2*2-1(3,4)5;;;;;;/h2*1-12,15-16H,13-14H2;2*1-4H2;4*1H3,(H,3,4);2*(H,2,3,4,5);;;;;;/q;;;;;;;;;;2*+2;2*+3;2*-2/p-6.
What are the key properties of bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate?
bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate has a molecular weight of 1507.87 g/mol, XLogP of -4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate is sourced from PubChem (CID 139132985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).