dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate)

C44H56Cu2N4O4 — CID 139130759

IUPACdicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate)
SMILESCc1cc(C)c([O-])c(CN2CCN(Cc3cc(C)cc(C)c3[O-])CC2)c1.Cc1cc(C)c([O-])c(CN2CCN(Cc3cc(C)cc(C)c3[O-])CC2)c1.[Cu+2].[Cu+2]
InChIInChI=1S/2C22H30N2O2.2Cu/c2*1-15-9-17(3)21(25)19(11-15)13-23-5-7-24(8-6-23)14-20-12-16(2)10-18(4)22(20)26;;/h2*9-12,25-26H,5-8,13-14H2,1-4H3;;/q;;2*+2/p-4
InChIKeyZHODZXNILNWAED-UHFFFAOYSA-J
MW832.05 g/mol
LogP4.77
Rot. Bonds8

About dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate)

dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate) (PubChem CID 139130759) has the molecular formula C44H56Cu2N4O4 and a molecular weight of 832.05 g/mol. Its IUPAC name is dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate).

Molecular Properties

Compound Namedicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate)
PubChem CID139130759
Molecular FormulaC44H56Cu2N4O4
Molecular Weight832.05 g/mol
Exact Mass830.29
IUPAC Namedicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate)
SMILESCc1cc(C)c([O-])c(CN2CCN(Cc3cc(C)cc(C)c3[O-])CC2)c1.Cc1cc(C)c([O-])c(CN2CCN(Cc3cc(C)cc(C)c3[O-])CC2)c1.[Cu+2].[Cu+2]
InChIInChI=1S/2C22H30N2O2.2Cu/c2*1-15-9-17(3)21(25)19(11-15)13-23-5-7-24(8-6-23)14-20-12-16(2)10-18(4)22(20)26;;/h2*9-12,25-26H,5-8,13-14H2,1-4H3;;/q;;2*+2/p-4
InChIKeyZHODZXNILNWAED-UHFFFAOYSA-J
XLogP4.77
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500832.05
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate)?
The IUPAC name of dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate) (CID 139130759) is dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate).
What is the SMILES notation for dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate)?
The canonical SMILES for dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate) is Cc1cc(C)c([O-])c(CN2CCN(Cc3cc(C)cc(C)c3[O-])CC2)c1.Cc1cc(C)c([O-])c(CN2CCN(Cc3cc(C)cc(C)c3[O-])CC2)c1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate)?
The InChIKey is ZHODZXNILNWAED-UHFFFAOYSA-J. The full InChI is InChI=1S/2C22H30N2O2.2Cu/c2*1-15-9-17(3)21(25)19(11-15)13-23-5-7-24(8-6-23)14-20-12-16(2)10-18(4)22(20)26;;/h2*9-12,25-26H,5-8,13-14H2,1-4H3;;/q;;2*+2/p-4.
What are the key properties of dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate)?
dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate) has a molecular weight of 832.05 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper bis(2-[[4-[(3,5-dimethyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethylphenolate) is sourced from PubChem (CID 139130759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).