dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)

C34H30Cl4Cu2N2O10 — CID 139207516

IUPACdicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5ClO2.2C3H7NO.2Cu/c4*8-6-4-2-1-3-5(6)7(9)10;2*1-4(2)3-5;;/h4*1-4H,(H,9,10);2*3H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyNFZSGMCPSSZRCJ-UHFFFAOYSA-J
MW895.52 g/mol
LogP2.22
Rot. Bonds6

About dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)

dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide) (PubChem CID 139207516) has the molecular formula C34H30Cl4Cu2N2O10 and a molecular weight of 895.52 g/mol. Its IUPAC name is dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide).

Molecular Properties

Compound Namedicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)
PubChem CID139207516
Molecular FormulaC34H30Cl4Cu2N2O10
Molecular Weight895.52 g/mol
Exact Mass891.92
IUPAC Namedicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5ClO2.2C3H7NO.2Cu/c4*8-6-4-2-1-3-5(6)7(9)10;2*1-4(2)3-5;;/h4*1-4H,(H,9,10);2*3H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyNFZSGMCPSSZRCJ-UHFFFAOYSA-J
XLogP2.22
TPSA201.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500895.52
LogP ≤ 52.22
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-fluorobenzoate)
CID 139042107
Dicopper;tetrakis(2-chlorobenzoate);dihydrate
CID 139053418
dicopper;bis(N,N-dimethylformamide);tetrabenzoate
CID 139134266
dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)
CID 139194735

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)?
The IUPAC name of dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide) (CID 139207516) is dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide).
What is the SMILES notation for dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)?
The canonical SMILES for dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide) is CN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)?
The InChIKey is NFZSGMCPSSZRCJ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5ClO2.2C3H7NO.2Cu/c4*8-6-4-2-1-3-5(6)7(9)10;2*1-4(2)3-5;;/h4*1-4H,(H,9,10);2*3H,1-2H3;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)?
dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide) has a molecular weight of 895.52 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide) is sourced from PubChem (CID 139207516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).