dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)

C34H30Cu2I4N2O10 — CID 139194735

IUPACdicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1cccc(I)c1.O=C([O-])c1cccc(I)c1.O=C([O-])c1cccc(I)c1.O=C([O-])c1cccc(I)c1.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5IO2.2C3H7NO.2Cu/c4*8-6-3-1-2-5(4-6)7(9)10;2*1-4(2)3-5;;/h4*1-4H,(H,9,10);2*3H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeySUQPEVYLECBRRF-UHFFFAOYSA-J
MW1261.33 g/mol
LogP2.02
Rot. Bonds6

About dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)

dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate) (PubChem CID 139194735) has the molecular formula C34H30Cu2I4N2O10 and a molecular weight of 1261.33 g/mol. Its IUPAC name is dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate).

Molecular Properties

Compound Namedicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)
PubChem CID139194735
Molecular FormulaC34H30Cu2I4N2O10
Molecular Weight1261.33 g/mol
Exact Mass1259.67
IUPAC Namedicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1cccc(I)c1.O=C([O-])c1cccc(I)c1.O=C([O-])c1cccc(I)c1.O=C([O-])c1cccc(I)c1.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5IO2.2C3H7NO.2Cu/c4*8-6-3-1-2-5(4-6)7(9)10;2*1-4(2)3-5;;/h4*1-4H,(H,9,10);2*3H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeySUQPEVYLECBRRF-UHFFFAOYSA-J
XLogP2.02
TPSA201.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001261.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)
CID 139092966
dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)
CID 139042107
Dicopper;urea;tetrabenzoate
CID 139055574
dicopper;bis(N,N-dimethylformamide);tetrabenzoate
CID 139134266
Dicopper;tetrakis(2-iodobenzoate);methanol
CID 139183211
Dicopper;tetrakis(3-iodobenzoate);methanol
CID 139196835
Dicopper;tetrakis(4-iodobenzoate);bis(propan-2-one)
CID 139196837
Dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane
CID 139196838
Dicopper;ethanol;tetrakis(4-iodobenzoate)
CID 139196839
dicopper;hexakis(N,N-dimethylformamide);tetrakis(4-iodobenzoate)
CID 139196840
dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)
CID 139207516
Diaquatetrakis(2,3,5-triiodobenzoato-kappa^2^O:O')dicopper(II)(Cu-Cu) bis(methanol-kappaO)tetrakis(2,3,5-triiodobenzoato-kappa^2^O:O')dicopper(II)(Cu-Cu) methanol disolvate
CID 168309306

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)?
The IUPAC name of dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate) (CID 139194735) is dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate).
What is the SMILES notation for dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)?
The canonical SMILES for dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate) is CN(C)C=O.CN(C)C=O.O=C([O-])c1cccc(I)c1.O=C([O-])c1cccc(I)c1.O=C([O-])c1cccc(I)c1.O=C([O-])c1cccc(I)c1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)?
The InChIKey is SUQPEVYLECBRRF-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5IO2.2C3H7NO.2Cu/c4*8-6-3-1-2-5(4-6)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;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)?
dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate) has a molecular weight of 1261.33 g/mol, XLogP of 2.02, 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);tetrakis(3-iodobenzoate) is sourced from PubChem (CID 139194735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).