bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate

C52H40Cl2Mn2N10O12 — CID 139082033

IUPACbis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate
SMILESO=C([O-])C(=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.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/5C10H8N2.C2H2O4.2ClHO4.2Mn/c5*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3-1(4)2(5)6;2*2-1(3,4)5;;/h5*1-8H;(H,3,4)(H,5,6);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyKHYCRWFSJYRUDZ-UHFFFAOYSA-J
MW1177.73 g/mol
LogP-2.31
Rot. Bonds5

About bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate

bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate (PubChem CID 139082033) has the molecular formula C52H40Cl2Mn2N10O12 and a molecular weight of 1177.73 g/mol. Its IUPAC name is bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate.

Molecular Properties

Compound Namebis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate
PubChem CID139082033
Molecular FormulaC52H40Cl2Mn2N10O12
Molecular Weight1177.73 g/mol
Exact Mass1176.10
IUPAC Namebis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate
SMILESO=C([O-])C(=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.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/5C10H8N2.C2H2O4.2ClHO4.2Mn/c5*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3-1(4)2(5)6;2*2-1(3,4)5;;/h5*1-8H;(H,3,4)(H,5,6);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyKHYCRWFSJYRUDZ-UHFFFAOYSA-J
XLogP-2.31
TPSA393.64 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001177.73
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Related Compounds

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di-mu-trifluoroacetato-mu~3~-oxo-bis[(2,2'-bipyridine-kappa^2^N,N')(trifluoroacetato-kappaO)iron(III)]
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benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))
CID 139154706
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
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Tris(2,2'-bipyridine)diperchloratoruthenium
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bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate
CID 139045171
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

Frequently Asked Questions

What is the IUPAC name of bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate?
The IUPAC name of bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate (CID 139082033) is bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate.
What is the SMILES notation for bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate?
The canonical SMILES for bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate is O=C([O-])C(=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.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate?
The InChIKey is KHYCRWFSJYRUDZ-UHFFFAOYSA-J. The full InChI is InChI=1S/5C10H8N2.C2H2O4.2ClHO4.2Mn/c5*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3-1(4)2(5)6;2*2-1(3,4)5;;/h5*1-8H;(H,3,4)(H,5,6);2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate?
bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate has a molecular weight of 1177.73 g/mol, XLogP of -2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(2+));oxalate;pentakis(2-pyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139082033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).