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

C82H78Co4Mn2N4O26 — CID 139129595

IUPACbis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));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.[Co+2].[Co+2].[Co+3].[Co+3].[Mn+2].[Mn+2].[O-2].[O-2]
InChIInChI=1S/10C7H6O2.4C3H7NO.4Co.2Mn.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;;;;;;;;;;;;;;2*+2;2*+3;2*+2;2*-2/p-10
InChIKeySQWSZCDRLCBKHG-UHFFFAOYSA-D
MW1881.14 g/mol
LogP-0.93
Rot. Bonds14

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

bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate (PubChem CID 139129595) has the molecular formula C82H78Co4Mn2N4O26 and a molecular weight of 1881.14 g/mol. Its IUPAC name is bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate.

Molecular Properties

Compound Namebis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate
PubChem CID139129595
Molecular FormulaC82H78Co4Mn2N4O26
Molecular Weight1881.14 g/mol
Exact Mass1880.10
IUPAC Namebis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));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.[Co+2].[Co+2].[Co+3].[Co+3].[Mn+2].[Mn+2].[O-2].[O-2]
InChIInChI=1S/10C7H6O2.4C3H7NO.4Co.2Mn.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;;;;;;;;;;;;;;2*+2;2*+3;2*+2;2*-2/p-10
InChIKeySQWSZCDRLCBKHG-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 ≤ 5001881.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate?
The IUPAC name of bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate (CID 139129595) is bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate.
What is the SMILES notation for bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate?
The canonical SMILES for bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));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.[Co+2].[Co+2].[Co+3].[Co+3].[Mn+2].[Mn+2].[O-2].[O-2].
What is the InChIKey of bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate?
The InChIKey is SQWSZCDRLCBKHG-UHFFFAOYSA-D. The full InChI is InChI=1S/10C7H6O2.4C3H7NO.4Co.2Mn.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;;;;;;;;;;;;;;2*+2;2*+3;2*+2;2*-2/p-10.
What are the key properties of bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate?
bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate has a molecular weight of 1881.14 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 bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate is sourced from PubChem (CID 139129595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).