dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate

C52H52Cu2N4O12 — CID 139054777

IUPACdicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate
SMILESCN(C)C=O.CN(C)C=O.O.O.O.O.O=C([O-])C1([O-])c2ccccc2-c2ccccc21.O=C([O-])C1([O-])c2ccccc2-c2ccccc21.[Cu+2].[Cu+2].c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C14H9O3.2C9H7N.2C3H7NO.2Cu.4H2O/c2*15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-4(2)3-5;;;;;;/h2*1-8H,(H,15,16);2*1-7H;2*3H,1-2H3;;;4*1H2/q2*-1;;;;;2*+2;;;;/p-2
InChIKeyUHXHEUABILTJCL-UHFFFAOYSA-L
MW1052.10 g/mol
LogP0.62
Rot. Bonds4

About dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate

dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate (PubChem CID 139054777) has the molecular formula C52H52Cu2N4O12 and a molecular weight of 1052.10 g/mol. Its IUPAC name is dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate.

Molecular Properties

Compound Namedicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate
PubChem CID139054777
Molecular FormulaC52H52Cu2N4O12
Molecular Weight1052.10 g/mol
Exact Mass1050.22
IUPAC Namedicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate
SMILESCN(C)C=O.CN(C)C=O.O.O.O.O.O=C([O-])C1([O-])c2ccccc2-c2ccccc21.O=C([O-])C1([O-])c2ccccc2-c2ccccc21.[Cu+2].[Cu+2].c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C14H9O3.2C9H7N.2C3H7NO.2Cu.4H2O/c2*15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-4(2)3-5;;;;;;/h2*1-8H,(H,15,16);2*1-7H;2*3H,1-2H3;;;4*1H2/q2*-1;;;;;2*+2;;;;/p-2
InChIKeyUHXHEUABILTJCL-UHFFFAOYSA-L
XLogP0.62
TPSA318.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001052.10
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate 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

Dicopper;bis(9-oxidofluorene-9-carboxylate);bis(1,10-phenanthroline);dihydrate
CID 139053577

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate?
The IUPAC name of dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate (CID 139054777) is dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate.
What is the SMILES notation for dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate?
The canonical SMILES for dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate is CN(C)C=O.CN(C)C=O.O.O.O.O.O=C([O-])C1([O-])c2ccccc2-c2ccccc21.O=C([O-])C1([O-])c2ccccc2-c2ccccc21.[Cu+2].[Cu+2].c1ccc2ncccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate?
The InChIKey is UHXHEUABILTJCL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H9O3.2C9H7N.2C3H7NO.2Cu.4H2O/c2*15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-4(2)3-5;;;;;;/h2*1-8H,(H,15,16);2*1-7H;2*3H,1-2H3;;;4*1H2/q2*-1;;;;;2*+2;;;;/p-2.
What are the key properties of dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate?
dicopper;bis(N,N-dimethylformamide);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate has a molecular weight of 1052.10 g/mol, XLogP of 0.62, 4 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);bis(9-oxidofluorene-9-carboxylate);quinoline;tetrahydrate is sourced from PubChem (CID 139054777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).