dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate)

C60H64Cu2N4O12 — CID 139070554

IUPACdicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate)
SMILESCN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Cu+2].[Cu+2]
InChIInChI=1S/4C12H10O2.4C3H7NO.2Cu/c4*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;4*1-4(2)3-5;;/h4*1-7H,8H2,(H,13,14);4*3H,1-2H3;;/q;;;;;;;;2*+2/p-4
InChIKeyWWQARVOEJLHUNO-UHFFFAOYSA-J
MW1160.28 g/mol
LogP3.34
Rot. Bonds12

About dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate)

dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate) (PubChem CID 139070554) has the molecular formula C60H64Cu2N4O12 and a molecular weight of 1160.28 g/mol. Its IUPAC name is dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate).

Molecular Properties

Compound Namedicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate)
PubChem CID139070554
Molecular FormulaC60H64Cu2N4O12
Molecular Weight1160.28 g/mol
Exact Mass1158.31
IUPAC Namedicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate)
SMILESCN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Cu+2].[Cu+2]
InChIInChI=1S/4C12H10O2.4C3H7NO.2Cu/c4*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;4*1-4(2)3-5;;/h4*1-7H,8H2,(H,13,14);4*3H,1-2H3;;/q;;;;;;;;2*+2/p-4
InChIKeyWWQARVOEJLHUNO-UHFFFAOYSA-J
XLogP3.34
TPSA241.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate) with MolForge

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

Launch Full Analysis

Related Compounds

Tetrakis(mu-phenylacetato-kappa^2^O:O')bis[(N,N-dimethylformamide-kappaO)copper(II)]
CID 139068654
Tetrakis(mu-naphthalene-1-acetato-kappa^2^O:O')bis[(N,N-dimethylformamide-kappaO)copper(II)]
CID 139083190
dicopper;bis(N,N-dimethylformamide);tetrakis(4-(9,10-dioxoanthracen-1-yl)benzoate);ethanol
CID 139199280
[Cu~2~(Ibuprofenate)~4~(DMF)~2~] . xDMF
CID 139206931

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate)?
The IUPAC name of dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate) (CID 139070554) is dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate).
What is the SMILES notation for dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate)?
The canonical SMILES for dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate) is CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate)?
The InChIKey is WWQARVOEJLHUNO-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H10O2.4C3H7NO.2Cu/c4*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;4*1-4(2)3-5;;/h4*1-7H,8H2,(H,13,14);4*3H,1-2H3;;/q;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate)?
dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate) has a molecular weight of 1160.28 g/mol, XLogP of 3.34, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(N,N-dimethylformamide);tetrakis(2-naphthalen-1-ylacetate) is sourced from PubChem (CID 139070554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).