copper;tetrakis(2,4-dinitrophenol);methanol

C26H24Cu2N8O22 — CID 11985774

IUPACcopper;tetrakis(2,4-dinitrophenol);methanol
SMILESCO.CO.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.[Cu].[Cu]
InChIInChI=1S/4C6H4N2O5.2CH4O.2Cu/c4*9-6-2-1-4(7(10)11)3-5(6)8(12)13;2*1-2;;/h4*1-3,9H;2*2H,1H3;;
InChIKeyCWKDJTCNLRURJK-UHFFFAOYSA-N
MW927.60 g/mol
LogP4.05
Rot. Bonds8

About copper;tetrakis(2,4-dinitrophenol);methanol

copper;tetrakis(2,4-dinitrophenol);methanol (PubChem CID 11985774) has the molecular formula C26H24Cu2N8O22 and a molecular weight of 927.60 g/mol. Its IUPAC name is copper;tetrakis(2,4-dinitrophenol);methanol.

Molecular Properties

Compound Namecopper;tetrakis(2,4-dinitrophenol);methanol
PubChem CID11985774
Molecular FormulaC26H24Cu2N8O22
Molecular Weight927.60 g/mol
Exact Mass925.96
IUPAC Namecopper;tetrakis(2,4-dinitrophenol);methanol
SMILESCO.CO.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.[Cu].[Cu]
InChIInChI=1S/4C6H4N2O5.2CH4O.2Cu/c4*9-6-2-1-4(7(10)11)3-5(6)8(12)13;2*1-2;;/h4*1-3,9H;2*2H,1H3;;
InChIKeyCWKDJTCNLRURJK-UHFFFAOYSA-N
XLogP4.05
TPSA466.50 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.60
LogP ≤ 54.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze copper;tetrakis(2,4-dinitrophenol);methanol 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

azane;2,4-dinitrophenol;hydrate
CID 174664401
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
2,4-dinitrophenol;4-methyl-1-oxidopyridin-1-ium
CID 139124088
butanoic acid;2,4-dinitrophenol
CID 175085952
2,4-dinitrophenol;4-methoxy-1-oxidopyridin-1-ium
CID 139064927
2,4-dinitrophenol;2H-tetrazole
CID 154637642
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead
CID 137178721
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
(4-hydroxy-3-nitrophenyl)arsinic acid
CID 154085716
2-methyl-4-nitrophenol;molecular nitrogen
CID 166479227
ethane;2-nitro-4-phenylphenol
CID 142062484

Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(2,4-dinitrophenol);methanol?
The IUPAC name of copper;tetrakis(2,4-dinitrophenol);methanol (CID 11985774) is copper;tetrakis(2,4-dinitrophenol);methanol.
What is the SMILES notation for copper;tetrakis(2,4-dinitrophenol);methanol?
The canonical SMILES for copper;tetrakis(2,4-dinitrophenol);methanol is CO.CO.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.[Cu].[Cu].
What is the InChIKey of copper;tetrakis(2,4-dinitrophenol);methanol?
The InChIKey is CWKDJTCNLRURJK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H4N2O5.2CH4O.2Cu/c4*9-6-2-1-4(7(10)11)3-5(6)8(12)13;2*1-2;;/h4*1-3,9H;2*2H,1H3;;.
What are the key properties of copper;tetrakis(2,4-dinitrophenol);methanol?
copper;tetrakis(2,4-dinitrophenol);methanol has a molecular weight of 927.60 g/mol, XLogP of 4.05, 8 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(2,4-dinitrophenol);methanol is sourced from PubChem (CID 11985774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).