dicopper;bis(N,N-dimethylformamide);tetrabenzoate

C34H34Cu2N2O10 — CID 139134266

IUPACdicopper;bis(N,N-dimethylformamide);tetrabenzoate
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H6O2.2C3H7NO.2Cu/c4*8-7(9)6-4-2-1-3-5-6;2*1-4(2)3-5;;/h4*1-5H,(H,8,9);2*3H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyAYYCXFSIGCPWAI-UHFFFAOYSA-J
MW757.74 g/mol
LogP-0.40
Rot. Bonds6

About dicopper;bis(N,N-dimethylformamide);tetrabenzoate

dicopper;bis(N,N-dimethylformamide);tetrabenzoate (PubChem CID 139134266) has the molecular formula C34H34Cu2N2O10 and a molecular weight of 757.74 g/mol. Its IUPAC name is dicopper;bis(N,N-dimethylformamide);tetrabenzoate.

Molecular Properties

Compound Namedicopper;bis(N,N-dimethylformamide);tetrabenzoate
PubChem CID139134266
Molecular FormulaC34H34Cu2N2O10
Molecular Weight757.74 g/mol
Exact Mass756.08
IUPAC Namedicopper;bis(N,N-dimethylformamide);tetrabenzoate
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H6O2.2C3H7NO.2Cu/c4*8-7(9)6-4-2-1-3-5-6;2*1-4(2)3-5;;/h4*1-5H,(H,8,9);2*3H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyAYYCXFSIGCPWAI-UHFFFAOYSA-J
XLogP-0.40
TPSA201.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500757.74
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)
CID 139092966
Tetramethylammonium-hexahydrohexa-benzoat
CID 129655469
dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)
CID 139042107
Dicopper;bis(2-hydroxyethyl(dimethyl)azanium);hexabenzoate
CID 139054616
Dicopper;urea;tetrabenzoate
CID 139055574
Tetrakis(mu-phenylacetato-kappa^2^O:O')bis[(N,N-dimethylformamide-kappaO)copper(II)]
CID 139068654
Tetrakis(mu-2-methylbenzoato-kappa^2^O:O')bis[(methanol-kappaO)copper(II)]
CID 139078733
Tetra-mu-2-methylbenzoato-kappa^8^O:O'-bis[(ethanol-kappaO)copper(II)]
CID 139082214
Dicopper;methylsulfinylmethane;tetrabenzoate
CID 139113899
bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate
CID 139129595
tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate
CID 139129596
Dicopper;benzoic acid;tetrabenzoate
CID 139170978

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N,N-dimethylformamide);tetrabenzoate?
The IUPAC name of dicopper;bis(N,N-dimethylformamide);tetrabenzoate (CID 139134266) is dicopper;bis(N,N-dimethylformamide);tetrabenzoate.
What is the SMILES notation for dicopper;bis(N,N-dimethylformamide);tetrabenzoate?
The canonical SMILES for dicopper;bis(N,N-dimethylformamide);tetrabenzoate is CN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis(N,N-dimethylformamide);tetrabenzoate?
The InChIKey is AYYCXFSIGCPWAI-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O2.2C3H7NO.2Cu/c4*8-7(9)6-4-2-1-3-5-6;2*1-4(2)3-5;;/h4*1-5H,(H,8,9);2*3H,1-2H3;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(N,N-dimethylformamide);tetrabenzoate?
dicopper;bis(N,N-dimethylformamide);tetrabenzoate has a molecular weight of 757.74 g/mol, XLogP of -0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(N,N-dimethylformamide);tetrabenzoate is sourced from PubChem (CID 139134266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).