bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

C62H50Mn2O10 — CID 139134791

IUPACbis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
SMILESC[O-].C[O-].O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.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]
InChIInChI=1S/4C15H12O2.2CH3O.2Mn/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2;;/h4*1-11,16H;2*1H3;;/q;;;;2*-1;2*+3/p-4/b4*14-11-;;;;
InChIKeyVYQBSJBPCLXYPF-ZBMLSMHHSA-J
MW1064.95 g/mol
LogP7.03
Rot. Bonds12

About bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (PubChem CID 139134791) has the molecular formula C62H50Mn2O10 and a molecular weight of 1064.95 g/mol. Its IUPAC name is bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).

Molecular Properties

Compound Namebis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
PubChem CID139134791
Molecular FormulaC62H50Mn2O10
Molecular Weight1064.95 g/mol
Exact Mass1064.22
IUPAC Namebis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
SMILESC[O-].C[O-].O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.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]
InChIInChI=1S/4C15H12O2.2CH3O.2Mn/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2;;/h4*1-11,16H;2*1H3;;/q;;;;2*-1;2*+3/p-4/b4*14-11-;;;;
InChIKeyVYQBSJBPCLXYPF-ZBMLSMHHSA-J
XLogP7.03
TPSA206.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.95
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Ferric benzoylacetonate
CID 136661096
Bis(benzoyloxy)(triphenyl)-lambda~5~-stibane
CID 16685126
tricopper;hexakis((Z)-3-oxo-1,3-bis[4-(trifluoromethyl)phenyl]prop-1-en-1-olate)
CID 139118576
[4-[6-[4-Bis(2,4,6-trimethylphenyl)boranylphenyl]-2,2-difluoro-1-oxa-3-oxonia-2-boranuidacyclohexa-3,5-dien-4-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 139142071
4,6-Diphenyl-2,2,5-tris(3,4,5-trifluorophenyl)-1-oxa-3-oxonia-2-boranuidacyclohexa-3,5-diene
CID 168351739
Fe(dbm)3
CID 10941602
Copper 1,3-diphenyl-1,3-propanedionate
CID 102601909
Bis(1,3-diphenylpropane-1,3-dionato-O,O')cobalt
CID 5483694
Ruthenium, (acetato-kappaO)bis(1,3-diphenyl-1,3-propanedionato-kappaO1,kappaO3)-
CID 6437536
Rhodium, (acetato-kappaO)bis(1,3-diphenyl-1,3-propanedionato-kappaO1,kappaO3)-
CID 90659416
Tris(dibenzoylmethanato) Iron
CID 169449870
Tetrakis(1,3-dionato)-mu-bis (ethylen-1,2-diethyl-1,2-diphenolato-O1,O2)dititanium(IV)
CID 54600725

Frequently Asked Questions

What is the IUPAC name of bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The IUPAC name of bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (CID 139134791) is bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).
What is the SMILES notation for bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The canonical SMILES for bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is C[O-].C[O-].O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.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].
What is the InChIKey of bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The InChIKey is VYQBSJBPCLXYPF-ZBMLSMHHSA-J. The full InChI is InChI=1S/4C15H12O2.2CH3O.2Mn/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2;;/h4*1-11,16H;2*1H3;;/q;;;;2*-1;2*+3/p-4/b4*14-11-;;;;.
What are the key properties of bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) has a molecular weight of 1064.95 g/mol, XLogP of 7.03, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is sourced from PubChem (CID 139134791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).