tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate

C82H78Mn2N4Ni4O26 — CID 139129596

IUPACtetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate
SMILESCN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2].[Mn+2].[Ni+2].[Ni+2].[Ni+3].[Ni+3].[O-2].[O-2]
InChIInChI=1S/10C7H6O2.4C3H7NO.2Mn.4Ni.2O/c10*8-7(9)6-4-2-1-3-5-6;4*1-4(2)3-5;;;;;;;;/h10*1-5H,(H,8,9);4*3H,1-2H3;;;;;;;;/q;;;;;;;;;;;;;;4*+2;2*+3;2*-2/p-10
InChIKeySSDGSDABWYYSSZ-UHFFFAOYSA-D
MW1880.18 g/mol
LogP-0.93
Rot. Bonds14

About tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate

tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate (PubChem CID 139129596) has the molecular formula C82H78Mn2N4Ni4O26 and a molecular weight of 1880.18 g/mol. Its IUPAC name is tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate.

Molecular Properties

Compound Nametetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate
PubChem CID139129596
Molecular FormulaC82H78Mn2N4Ni4O26
Molecular Weight1880.18 g/mol
Exact Mass1876.11
IUPAC Nametetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate
SMILESCN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2].[Mn+2].[Ni+2].[Ni+2].[Ni+3].[Ni+3].[O-2].[O-2]
InChIInChI=1S/10C7H6O2.4C3H7NO.2Mn.4Ni.2O/c10*8-7(9)6-4-2-1-3-5-6;4*1-4(2)3-5;;;;;;;;/h10*1-5H,(H,8,9);4*3H,1-2H3;;;;;;;;/q;;;;;;;;;;;;;;4*+2;2*+3;2*-2/p-10
InChIKeySSDGSDABWYYSSZ-UHFFFAOYSA-D
XLogP-0.93
TPSA539.54 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001880.18
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

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CID 139129595
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Di-mu-benzoato-kappa^3^O,O':O';kappa^3^O:O,O'-bis[aquabis(benzoato-kappa^2^O,O')(dimethylformamide-kappaO)europium(III)]
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bis(N,N-dimethylformamide);hexadecakis(4-methylbenzoate);dodecakis(oxygen(2-));octakis(titanium(4+));bis(zirconium(4+))
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Frequently Asked Questions

What is the IUPAC name of tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate?
The IUPAC name of tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate (CID 139129596) is tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate.
What is the SMILES notation for tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate?
The canonical SMILES for tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate is CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2].[Mn+2].[Ni+2].[Ni+2].[Ni+3].[Ni+3].[O-2].[O-2].
What is the InChIKey of tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate?
The InChIKey is SSDGSDABWYYSSZ-UHFFFAOYSA-D. The full InChI is InChI=1S/10C7H6O2.4C3H7NO.2Mn.4Ni.2O/c10*8-7(9)6-4-2-1-3-5-6;4*1-4(2)3-5;;;;;;;;/h10*1-5H,(H,8,9);4*3H,1-2H3;;;;;;;;/q;;;;;;;;;;;;;;4*+2;2*+3;2*-2/p-10.
What are the key properties of tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate?
tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate has a molecular weight of 1880.18 g/mol, XLogP of -0.93, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate is sourced from PubChem (CID 139129596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).