bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate

C56H46Cl2Mn2N8O14 — CID 139169985

IUPACbis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
SMILESCOc1ccc(C(=O)[O-])cc1.COc1ccc(C(=O)[O-])cc1.[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C10H8N2.2C8H8O3.2ClHO4.2Mn/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-11-7-4-2-6(3-5-7)8(9)10;2*2-1(3,4)5;;/h4*1-8H;2*2-5H,1H3,(H,9,10);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyXRWVLYKNNCIVDI-UHFFFAOYSA-J
MW1235.81 g/mol
LogP-0.83
Rot. Bonds8

About bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate

bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate (PubChem CID 139169985) has the molecular formula C56H46Cl2Mn2N8O14 and a molecular weight of 1235.81 g/mol. Its IUPAC name is bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate.

Molecular Properties

Compound Namebis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
PubChem CID139169985
Molecular FormulaC56H46Cl2Mn2N8O14
Molecular Weight1235.81 g/mol
Exact Mass1234.13
IUPAC Namebis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
SMILESCOc1ccc(C(=O)[O-])cc1.COc1ccc(C(=O)[O-])cc1.[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C10H8N2.2C8H8O3.2ClHO4.2Mn/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-11-7-4-2-6(3-5-7)8(9)10;2*2-1(3,4)5;;/h4*1-8H;2*2-5H,1H3,(H,9,10);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyXRWVLYKNNCIVDI-UHFFFAOYSA-J
XLogP-0.83
TPSA386.32 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.81
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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Related Compounds

Bis(mu-4,4'-oxydibenzoato)-kappa^3^O,O':O'';kappa^3^O'':O,O'-bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')cobalt(II)]
CID 139062289
Bis(2,2'-bipyridine-kappa^2^N,N')bis(4-hydroxybenzoato-kappaO)manganese(II)
CID 139069373
Bis(acetonitrile);bis(manganese(3+));bis(3-methoxybenzoate);oxygen(2-);bis(2-pyridin-2-ylpyridine);dinitrate
CID 139168657
Bis(manganese(2+));bis(2-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169987
Bis(manganese(2+));bis(3-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169988
Dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)
CID 139171175
Bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+)
CID 139175464
Dicopper;bis(6-(6-carboxylato-3-methoxy-2-pyridinyl)-5-methoxypyridine-2-carboxylate);bis(pyridine);nonahydrate
CID 139199726
Dicopper;bis(2,6-dipyridin-2-ylpyridine);dibenzoate;diperchlorate
CID 139203679
Hexakis(3-methoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+))
CID 139206112
Magnesium;bis(1,4-diazabicyclo[2.2.2]octane);[4-[10,15,20-tris(4-benzoyloxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl] benzoate
CID 168307355
Dicopper;dioxidanium;bis(5-methoxybenzene-1,3-dicarboxylate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 168344200

Frequently Asked Questions

What is the IUPAC name of bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate?
The IUPAC name of bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate (CID 139169985) is bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate.
What is the SMILES notation for bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate?
The canonical SMILES for bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate is COc1ccc(C(=O)[O-])cc1.COc1ccc(C(=O)[O-])cc1.[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate?
The InChIKey is XRWVLYKNNCIVDI-UHFFFAOYSA-J. The full InChI is InChI=1S/4C10H8N2.2C8H8O3.2ClHO4.2Mn/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-11-7-4-2-6(3-5-7)8(9)10;2*2-1(3,4)5;;/h4*1-8H;2*2-5H,1H3,(H,9,10);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate?
bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate has a molecular weight of 1235.81 g/mol, XLogP of -0.83, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139169985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).