dicopper;urea;tetrabenzoate

C30H28Cu2N4O10 — CID 139055574

IUPACdicopper;urea;tetrabenzoate
SMILESNC(N)=O.NC(N)=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H6O2.2CH4N2O.2Cu/c4*8-7(9)6-4-2-1-3-5-6;2*2-1(3)4;;/h4*1-5H,(H,8,9);2*(H4,2,3,4);;/q;;;;;;2*+2/p-4
InChIKeyLXXJFAFYBPLVSS-UHFFFAOYSA-J
MW731.66 g/mol
LogP-1.76
Rot. Bonds4

About dicopper;urea;tetrabenzoate

dicopper;urea;tetrabenzoate (PubChem CID 139055574) has the molecular formula C30H28Cu2N4O10 and a molecular weight of 731.66 g/mol. Its IUPAC name is dicopper;urea;tetrabenzoate.

Molecular Properties

Compound Namedicopper;urea;tetrabenzoate
PubChem CID139055574
Molecular FormulaC30H28Cu2N4O10
Molecular Weight731.66 g/mol
Exact Mass730.04
IUPAC Namedicopper;urea;tetrabenzoate
SMILESNC(N)=O.NC(N)=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H6O2.2CH4N2O.2Cu/c4*8-7(9)6-4-2-1-3-5-6;2*2-1(3)4;;/h4*1-5H,(H,8,9);2*(H4,2,3,4);;/q;;;;;;2*+2/p-4
InChIKeyLXXJFAFYBPLVSS-UHFFFAOYSA-J
XLogP-1.76
TPSA298.74 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500731.66
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

Lead Tetrabenzoate
CID 16688702
Zinn-tetrabenzoat
CID 16693357
Titanium(4+) tetrabenzoate
CID 12950976
Cerium tetrabenzoate
CID 23191663
Barium benzoate barium
CID 129657332
dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)
CID 139042107
Dicopper;methylsulfinylmethane;tetrabenzoate
CID 139113899
dicopper;bis(N,N-dimethylformamide);tetrabenzoate
CID 139134266
Dicopper;benzoic acid;tetrabenzoate
CID 139170978
dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)
CID 139194735
Dicopper;tetrakis(4-iodobenzoate);bis(propan-2-one)
CID 139196837
dicopper;hexakis(N,N-dimethylformamide);tetrakis(4-iodobenzoate)
CID 139196840

Frequently Asked Questions

What is the IUPAC name of dicopper;urea;tetrabenzoate?
The IUPAC name of dicopper;urea;tetrabenzoate (CID 139055574) is dicopper;urea;tetrabenzoate.
What is the SMILES notation for dicopper;urea;tetrabenzoate?
The canonical SMILES for dicopper;urea;tetrabenzoate is NC(N)=O.NC(N)=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;urea;tetrabenzoate?
The InChIKey is LXXJFAFYBPLVSS-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O2.2CH4N2O.2Cu/c4*8-7(9)6-4-2-1-3-5-6;2*2-1(3)4;;/h4*1-5H,(H,8,9);2*(H4,2,3,4);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;urea;tetrabenzoate?
dicopper;urea;tetrabenzoate has a molecular weight of 731.66 g/mol, XLogP of -1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;urea;tetrabenzoate is sourced from PubChem (CID 139055574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).