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

C44H38Cl2Mn2N8O12 — CID 139068678

IUPACbis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate
SMILESCC(=O)[O-].CC(=O)[O-].[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/4C10H8N2.2C2H4O2.2ClHO4.2Mn/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2(3)4;2*2-1(3,4)5;;/h4*1-8H;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyCIIKFDDHUCEWLD-UHFFFAOYSA-J
MW1051.61 g/mol
LogP-3.43
Rot. Bonds4

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

bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate (PubChem CID 139068678) has the molecular formula C44H38Cl2Mn2N8O12 and a molecular weight of 1051.61 g/mol. Its IUPAC name is bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate.

Molecular Properties

Compound Namebis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate
PubChem CID139068678
Molecular FormulaC44H38Cl2Mn2N8O12
Molecular Weight1051.61 g/mol
Exact Mass1050.07
IUPAC Namebis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate
SMILESCC(=O)[O-].CC(=O)[O-].[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/4C10H8N2.2C2H4O2.2ClHO4.2Mn/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2(3)4;2*2-1(3,4)5;;/h4*1-8H;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyCIIKFDDHUCEWLD-UHFFFAOYSA-J
XLogP-3.43
TPSA367.86 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.61
LogP ≤ 5-3.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Related Compounds

tris(2,2'-bipyridyl)cobalt(III)
CID 161059
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Iron(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 84889
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
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
[Mn2III,IV(O)2(terpy)2(CF3CO2)2](ClO4).CH3CN
CID 139132892
((2,2'-bipyridine)silver(i)(Trifluoroacetate))
CID 139160984

Frequently Asked Questions

What is the IUPAC name of bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate?
The IUPAC name of bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate (CID 139068678) is bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate.
What is the SMILES notation for bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate?
The canonical SMILES for bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate is CC(=O)[O-].CC(=O)[O-].[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+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate?
The InChIKey is CIIKFDDHUCEWLD-UHFFFAOYSA-J. The full InChI is InChI=1S/4C10H8N2.2C2H4O2.2ClHO4.2Mn/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2(3)4;2*2-1(3,4)5;;/h4*1-8H;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate?
bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate has a molecular weight of 1051.61 g/mol, XLogP of -3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diacetate;diperchlorate is sourced from PubChem (CID 139068678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).