bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate

C66H74Cl4F12Mn4N8O12P2 — CID 139177903

IUPACbis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mn+3].[Mn+3].[Mn+3].[Mn+3]
InChIInChI=1S/4C15H16N2O2.2C2H4O2.2CH2Cl2.2F6P.4Mn/c4*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;2*1-2(3)4;2*2-1-3;2*1-7(2,3,4,5)6;;;;/h4*3-10H,11H2,1-2H3;2*1H3,(H,3,4);2*1H2;;;;;;/q4*-2;;;;;2*-1;4*+3/p-2/t4*14-,15+;;;;;;;;;;
InChIKeyHFGXWELEARLGSX-IUGTWROZSA-L
MW1822.85 g/mol
LogP9.98
Rot. Bonds16

About bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate

bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate (PubChem CID 139177903) has the molecular formula C66H74Cl4F12Mn4N8O12P2 and a molecular weight of 1822.85 g/mol. Its IUPAC name is bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate.

Molecular Properties

Compound Namebis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate
PubChem CID139177903
Molecular FormulaC66H74Cl4F12Mn4N8O12P2
Molecular Weight1822.85 g/mol
Exact Mass1820.10
IUPAC Namebis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mn+3].[Mn+3].[Mn+3].[Mn+3]
InChIInChI=1S/4C15H16N2O2.2C2H4O2.2CH2Cl2.2F6P.4Mn/c4*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;2*1-2(3)4;2*2-1-3;2*1-7(2,3,4,5)6;;;;/h4*3-10H,11H2,1-2H3;2*1H3,(H,3,4);2*1H2;;;;;;/q4*-2;;;;;2*-1;4*+3/p-2/t4*14-,15+;;;;;;;;;;
InChIKeyHFGXWELEARLGSX-IUGTWROZSA-L
XLogP9.98
TPSA367.86 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001822.85
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate?
The IUPAC name of bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate (CID 139177903) is bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate.
What is the SMILES notation for bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate?
The canonical SMILES for bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate is CC(=O)[O-].CC(=O)[O-].C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mn+3].[Mn+3].[Mn+3].[Mn+3].
What is the InChIKey of bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate?
The InChIKey is HFGXWELEARLGSX-IUGTWROZSA-L. The full InChI is InChI=1S/4C15H16N2O2.2C2H4O2.2CH2Cl2.2F6P.4Mn/c4*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;2*1-2(3)4;2*2-1-3;2*1-7(2,3,4,5)6;;;;/h4*3-10H,11H2,1-2H3;2*1H3,(H,3,4);2*1H2;;;;;;/q4*-2;;;;;2*-1;4*+3/p-2/t4*14-,15+;;;;;;;;;;.
What are the key properties of bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate?
bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate has a molecular weight of 1822.85 g/mol, XLogP of 9.98, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate is sourced from PubChem (CID 139177903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).