bis(manganese(2+));tetrakis(pyridine);tetrabenzoate

C48H40Mn2N4O8 — CID 139070751

IUPACbis(manganese(2+));tetrakis(pyridine);tetrabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2].[Mn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C7H6O2.4C5H5N.2Mn/c4*8-7(9)6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;;/h4*1-5H,(H,8,9);4*1-5H;;/q;;;;;;;;2*+2/p-4
InChIKeyFNUDBSUCGQQAEK-UHFFFAOYSA-J
MW910.74 g/mol
LogP4.52
Rot. Bonds4

About bis(manganese(2+));tetrakis(pyridine);tetrabenzoate

bis(manganese(2+));tetrakis(pyridine);tetrabenzoate (PubChem CID 139070751) has the molecular formula C48H40Mn2N4O8 and a molecular weight of 910.74 g/mol. Its IUPAC name is bis(manganese(2+));tetrakis(pyridine);tetrabenzoate.

Molecular Properties

Compound Namebis(manganese(2+));tetrakis(pyridine);tetrabenzoate
PubChem CID139070751
Molecular FormulaC48H40Mn2N4O8
Molecular Weight910.74 g/mol
Exact Mass910.16
IUPAC Namebis(manganese(2+));tetrakis(pyridine);tetrabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2].[Mn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C7H6O2.4C5H5N.2Mn/c4*8-7(9)6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;;/h4*1-5H,(H,8,9);4*1-5H;;/q;;;;;;;;2*+2/p-4
InChIKeyFNUDBSUCGQQAEK-UHFFFAOYSA-J
XLogP4.52
TPSA212.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.74
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
3,5-Bis((bis(2-pyridylmethyl)amino)methyl)benzoic acid
CID 66690508
1-Benzoyloxypyridinium tetra-phenylborate
CID 12181331
1-Benzoyloxy-4-methylpyridinium tetraphenylborate
CID 12181332
Benzoic acid;manganese;tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 15377128
[Tris(4-methylphenyl)-(pyridine-3-carbonyloxy)-lambda5-stibanyl] pyridine-3-carboxylate
CID 16696458
6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
CID 56684304
4-[[4-[1-[(4-Carboxyphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoic acid
CID 86074431
3,5-Bis(2,2'-bipyridin-4-ylethynyl)benzoic acid
CID 102584347
[(5-Benzoyloxyiminopyrido[3,4-g]isoquinolin-10-ylidene)amino] benzoate
CID 123419068
Hexadecylpyridinium bromide benzoate
CID 129705182
Molybdenum-8-quinolinate
CID 129719450

Frequently Asked Questions

What is the IUPAC name of bis(manganese(2+));tetrakis(pyridine);tetrabenzoate?
The IUPAC name of bis(manganese(2+));tetrakis(pyridine);tetrabenzoate (CID 139070751) is bis(manganese(2+));tetrakis(pyridine);tetrabenzoate.
What is the SMILES notation for bis(manganese(2+));tetrakis(pyridine);tetrabenzoate?
The canonical SMILES for bis(manganese(2+));tetrakis(pyridine);tetrabenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2].[Mn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(manganese(2+));tetrakis(pyridine);tetrabenzoate?
The InChIKey is FNUDBSUCGQQAEK-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O2.4C5H5N.2Mn/c4*8-7(9)6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;;/h4*1-5H,(H,8,9);4*1-5H;;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(manganese(2+));tetrakis(pyridine);tetrabenzoate?
bis(manganese(2+));tetrakis(pyridine);tetrabenzoate has a molecular weight of 910.74 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(2+));tetrakis(pyridine);tetrabenzoate is sourced from PubChem (CID 139070751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).