manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate

C53H45Mn4O17-4 — CID 139134052

About manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate

manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate (PubChem CID 139134052) has the molecular formula C53H45Mn4O17-4 and a molecular weight of 1173.68 g/mol. Its IUPAC name is manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate.

Molecular Properties

• Compound Name: manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate
• PubChem CID: 139134052
• Molecular Formula: C53H45Mn4O17-4
• Molecular Weight: 1173.68 g/mol
• Exact Mass: 1173.02
• IUPAC Name: manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Mn+3].[Mn+3].[Mn+3].[Mn].[O-2].[O-2].[O-2]
• InChI: InChI=1S/3C15H12O2.4C2H4O2.4Mn.3O/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;4*1-2(3)4;;;;;;;/h3*1-11,16H;4*1H3,(H,3,4);;;;;;;/q;;;;;;;;3*+3;3*-2/p-7/b3*14-11-
• InChIKey: DQOLXAKMMBWCHM-DMRQQBHHSA-G
• XLogP: 1.47
• TPSA: 366.41 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1173.68
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate?

The IUPAC name of manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate (CID 139134052) is manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate.

What is the SMILES notation for manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate?

The canonical SMILES for manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Mn+3].[Mn+3].[Mn+3].[Mn].[O-2].[O-2].[O-2].

What is the InChIKey of manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate?

The InChIKey is DQOLXAKMMBWCHM-DMRQQBHHSA-G. The full InChI is InChI=1S/3C15H12O2.4C2H4O2.4Mn.3O/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;4*1-2(3)4;;;;;;;/h3*1-11,16H;4*1H3,(H,3,4);;;;;;;/q;;;;;;;;3*+3;3*-2/p-7/b3*14-11-;;;;;;;;;;;.

What are the key properties of manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate?

manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate has a molecular weight of 1173.68 g/mol, XLogP of 1.47, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for manganese;tris(manganese(3+));tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tris(oxygen(2-));tetraacetate is sourced from PubChem (CID 139134052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).