dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate

C38H26Cl2Cu2N4O12 — CID 139163636

IUPACdicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate
SMILESO=Cc1ccccc1[O-].O=Cc1ccccc1[O-].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C7H6O2.2ClHO4.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-5-6-3-1-2-4-7(6)9;2*2-1(3,4)5;;/h2*1-8H;2*1-5,9H;2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyBOKDEZWGFXKVDG-UHFFFAOYSA-J
MW928.64 g/mol
LogP-2.81
Rot. Bonds2

About dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate

dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate (PubChem CID 139163636) has the molecular formula C38H26Cl2Cu2N4O12 and a molecular weight of 928.64 g/mol. Its IUPAC name is dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate.

Molecular Properties

Compound Namedicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate
PubChem CID139163636
Molecular FormulaC38H26Cl2Cu2N4O12
Molecular Weight928.64 g/mol
Exact Mass925.95
IUPAC Namedicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate
SMILESO=Cc1ccccc1[O-].O=Cc1ccccc1[O-].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C7H6O2.2ClHO4.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-5-6-3-1-2-4-7(6)9;2*2-1(3,4)5;;/h2*1-8H;2*1-5,9H;2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyBOKDEZWGFXKVDG-UHFFFAOYSA-J
XLogP-2.81
TPSA316.30 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.64
LogP ≤ 5-2.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate 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

(E)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); hexafluorophosphate
CID 6481871
(E)-1-(2-hydroxyphenyl)-3-[4-[(E)-3-(2-hydroxyphenyl)-3-oxo-prop-1-enyl]phenyl]prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate
CID 11980896
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;4,7-diphenyl-1,10-phenanthroline;europium
CID 20606788
tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)
CID 139039575
Bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline
CID 139040814
Bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline
CID 139049178
(5,6-Dimethyl-1,10-phenanthroline-N,N')(nitrato-O)(salicylaldehydato-O,O) copper(II)
CID 139056657
Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate
CID 139056658
Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
CID 139057769
(4-Bromo-2-formylphenolato)perchlorato(1,10-phenanthroline)copper(II)
CID 139059900
Tetra-mu-benzoato-O:O'-bis[(benzoato-O,O')(1,10-phenanthroline-N,N')-lanthanum(III)]
CID 139064772
Di-mu-hydroxo-bis[aqua(1,10-phenanthroline-kappa^2^N,N')copper(II)] terephthalate octahydrate
CID 139067860

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate?
The IUPAC name of dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate (CID 139163636) is dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate.
What is the SMILES notation for dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate?
The canonical SMILES for dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate is O=Cc1ccccc1[O-].O=Cc1ccccc1[O-].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate?
The InChIKey is BOKDEZWGFXKVDG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2.2C7H6O2.2ClHO4.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-5-6-3-1-2-4-7(6)9;2*2-1(3,4)5;;/h2*1-8H;2*1-5,9H;2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate?
dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate has a molecular weight of 928.64 g/mol, XLogP of -2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-formylphenolate);bis(1,10-phenanthroline);diperchlorate is sourced from PubChem (CID 139163636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).