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

C108H100Cu4N4O20 — CID 139083190

IUPACtetracopper;tetrakis(N,N-dimethylformamide);octakis(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.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/8C12H10O2.4C3H7NO.4Cu/c8*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;4*1-4(2)3-5;;;;/h8*1-7H,8H2,(H,13,14);4*3H,1-2H3;;;;/q;;;;;;;;;;;;4*+2/p-8
InChIKeyNKCHJAUOGSFHAX-UHFFFAOYSA-F
MW2028.18 g/mol
LogP7.87
Rot. Bonds20

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

tetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate) (PubChem CID 139083190) has the molecular formula C108H100Cu4N4O20 and a molecular weight of 2028.18 g/mol. Its IUPAC name is tetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate).

Molecular Properties

Compound Nametetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate)
PubChem CID139083190
Molecular FormulaC108H100Cu4N4O20
Molecular Weight2028.18 g/mol
Exact Mass2024.41
IUPAC Nametetracopper;tetrakis(N,N-dimethylformamide);octakis(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.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/8C12H10O2.4C3H7NO.4Cu/c8*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;4*1-4(2)3-5;;;;/h8*1-7H,8H2,(H,13,14);4*3H,1-2H3;;;;/q;;;;;;;;;;;;4*+2/p-8
InChIKeyNKCHJAUOGSFHAX-UHFFFAOYSA-F
XLogP7.87
TPSA402.28 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.18
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze tetracopper;tetrakis(N,N-dimethylformamide);octakis(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)] N,N-dimethylformamide disolvate
CID 139070554
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
tetracopper;tetrakis(3-[2-[3-[2-(3-carboxylatophenyl)ethynyl]phenyl]ethynyl]benzoate);tetrakis(N,N-dimethylformamide)
CID 168350387

Frequently Asked Questions

What is the IUPAC name of tetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate)?
The IUPAC name of tetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate) (CID 139083190) is tetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate).
What is the SMILES notation for tetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate)?
The canonical SMILES for tetracopper;tetrakis(N,N-dimethylformamide);octakis(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.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Cu+2].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of tetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate)?
The InChIKey is NKCHJAUOGSFHAX-UHFFFAOYSA-F. The full InChI is InChI=1S/8C12H10O2.4C3H7NO.4Cu/c8*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;4*1-4(2)3-5;;;;/h8*1-7H,8H2,(H,13,14);4*3H,1-2H3;;;;/q;;;;;;;;;;;;4*+2/p-8.
What are the key properties of tetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate)?
tetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate) has a molecular weight of 2028.18 g/mol, XLogP of 7.87, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetracopper;tetrakis(N,N-dimethylformamide);octakis(2-naphthalen-1-ylacetate) is sourced from PubChem (CID 139083190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).