bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate)

C57H48Mn2N4O13 — CID 139073916

IUPACbis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate)
SMILESCO.O=C([O-])COc1ccccc1.O=C([O-])COc1ccccc1.O=C([O-])COc1ccccc1.O=C([O-])COc1ccccc1.[Mn+2].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.4C8H8O3.CH4O.2Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*9-8(10)6-11-7-4-2-1-3-5-7;1-2;;/h2*1-8H;4*1-5H,6H2,(H,9,10);2H,1H3;;/q;;;;;;;2*+2/p-4
InChIKeyFRNJFKCLGSPMFT-UHFFFAOYSA-J
MW1106.90 g/mol
LogP4.43
Rot. Bonds12

About bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate)

bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate) (PubChem CID 139073916) has the molecular formula C57H48Mn2N4O13 and a molecular weight of 1106.90 g/mol. Its IUPAC name is bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate).

Molecular Properties

Compound Namebis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate)
PubChem CID139073916
Molecular FormulaC57H48Mn2N4O13
Molecular Weight1106.90 g/mol
Exact Mass1106.20
IUPAC Namebis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate)
SMILESCO.O=C([O-])COc1ccccc1.O=C([O-])COc1ccccc1.O=C([O-])COc1ccccc1.O=C([O-])COc1ccccc1.[Mn+2].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.4C8H8O3.CH4O.2Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*9-8(10)6-11-7-4-2-1-3-5-7;1-2;;/h2*1-8H;4*1-5H,6H2,(H,9,10);2H,1H3;;/q;;;;;;;2*+2/p-4
InChIKeyFRNJFKCLGSPMFT-UHFFFAOYSA-J
XLogP4.43
TPSA269.23 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001106.90
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
CID 139044461
Bis(mu-2,2'-{[4-(carboxymethoxy)phenyl]azanediyl}diacetato)bis[(1,10-phenanthroline)copper(II)]
CID 139080214
[N-(3-Methoxy-2-oxidobenzylidene-kappaO^2^)leucinato-kappa^2^N,O](1,10-phenanthroline-kappa^2^N,N')copper(II) monohydrate
CID 139080235
Tetrakis(mu-2-phenoxypropionato)-kappa^3^O,O':O'; kappa^3^O:O,O';kappa^4^O:O'-bis[(1,10-phenanthroline-kappa^2^N,N')(2-phenoxypropionato-kappa^2^O,O')terbium(III)]
CID 139081857
Tetrakis(mu-2-phenoxypropionato)-kappa^3^O,O':O'; kappa^3^O:O,O',kappa^4^O:O'-bis[(1,10-phenanthroline-kappa^2^N,N')(2-phenoxypropionato-kappa^2^O,O')dysprosium(III)]
CID 139081865
Tetrakis(mu-2-phenoxypropionato)-kappa^3^O,O':O'; kappa^3^O:O,O',kappa^4^O:O'-bis[(1,10-phenanthroline-kappa^2^N,N')(2-phenoxypropionato-kappa^2^O,O')praseodymium(III)]
CID 139081871
Bis(mu-2-phenoxypropionato-kappa^2^O:O')bis[(1,10-phenanthroline-kappa^2^N,N')bis(2-phenoxypropionato-kappa^2^O,O')samarium(III)]
CID 139081924
Tetrakis(mu-2-phenoxypropionato)-kappa^3^O,O':O'; kappa^3^O:O,O';kappa^4^O:O'-bis[(1,10-phenanthroline-kappa^2^N,N')(2-phenoxypropionato-kappa^2^O,O')holmium(III)]
CID 139082119
Bis(mu~2~-2-phenoxypropionato-kappa^2^O:O')bis[(1,10-phenanthroline-kappa^2^N,N')bis(2-phenoxypropionato-kappa^2^O,O')ytterbium(III)]
CID 139082164
Bis(2-[4-[(4-carboxylatophenoxy)methyl]phenyl]benzoate);bis(nickel(2+));bis(1,10-phenanthroline);dihydrate
CID 139146132
Bis(2-[4-[(4-carboxylatophenoxy)methyl]phenyl]benzoate);bis(cobalt(2+));bis(1,10-phenanthroline);dihydrate
CID 139146133
Aqua(3-carboxylatophenoxyacetato-kappaO)bis(1,10-phenanthroline-kappa^2^N,N')manganese(II) tetrahydrate
CID 168308930

Frequently Asked Questions

What is the IUPAC name of bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate)?
The IUPAC name of bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate) (CID 139073916) is bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate).
What is the SMILES notation for bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate)?
The canonical SMILES for bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate) is CO.O=C([O-])COc1ccccc1.O=C([O-])COc1ccccc1.O=C([O-])COc1ccccc1.O=C([O-])COc1ccccc1.[Mn+2].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate)?
The InChIKey is FRNJFKCLGSPMFT-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2.4C8H8O3.CH4O.2Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*9-8(10)6-11-7-4-2-1-3-5-7;1-2;;/h2*1-8H;4*1-5H,6H2,(H,9,10);2H,1H3;;/q;;;;;;;2*+2/p-4.
What are the key properties of bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate)?
bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate) has a molecular weight of 1106.90 g/mol, XLogP of 4.43, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(2+));methanol;bis(1,10-phenanthroline);tetrakis(2-phenoxyacetate) is sourced from PubChem (CID 139073916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).