dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate

C32H31Cl2Cu2FN6O10 — CID 139132812

IUPACdicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate
SMILES[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1c(CN(Cc2ccccn2)Cc2ccccn2)cc(F)cc1CN(Cc1ccccn1)Cc1ccccn1.[OH-]
InChIInChI=1S/C32H31FN6O.2ClHO4.2Cu.H2O/c33-27-17-25(19-38(21-28-9-1-5-13-34-28)22-29-10-2-6-14-35-29)32(40)26(18-27)20-39(23-30-11-3-7-15-36-30)24-31-12-4-8-16-37-31;2*2-1(3,4)5;;;/h1-18,40H,19-24H2;2*(H,2,3,4,5);;;1H2/q;;;2*+2;/p-4
InChIKeyNHQSMOQYKFRHIN-UHFFFAOYSA-J
MW876.63 g/mol
LogP-4.81
Rot. Bonds12

About dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate

dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate (PubChem CID 139132812) has the molecular formula C32H31Cl2Cu2FN6O10 and a molecular weight of 876.63 g/mol. Its IUPAC name is dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate.

Molecular Properties

Compound Namedicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate
PubChem CID139132812
Molecular FormulaC32H31Cl2Cu2FN6O10
Molecular Weight876.63 g/mol
Exact Mass874.01
IUPAC Namedicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate
SMILES[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1c(CN(Cc2ccccn2)Cc2ccccn2)cc(F)cc1CN(Cc1ccccn1)Cc1ccccn1.[OH-]
InChIInChI=1S/C32H31FN6O.2ClHO4.2Cu.H2O/c33-27-17-25(19-38(21-28-9-1-5-13-34-28)22-29-10-2-6-14-35-29)32(40)26(18-27)20-39(23-30-11-3-7-15-36-30)24-31-12-4-8-16-37-31;2*2-1(3,4)5;;;/h1-18,40H,19-24H2;2*(H,2,3,4,5);;;1H2/q;;;2*+2;/p-4
InChIKeyNHQSMOQYKFRHIN-UHFFFAOYSA-J
XLogP-4.81
TPSA295.58 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.63
LogP ≤ 5-4.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;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

Dizinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;trifluoromethanesulfonate;diacetate
CID 168335209
2,6-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;bis(iron(3+));oxolane;propanoate;trifluoromethanesulfonate
CID 168335210
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
Di-mu-perchlorato-bis{mu-2-[(2-pyridyl)methylaminomethyl]phenolato)dicopper(II) acetonitrile disolvate
CID 139077077
(mu-Acetato-kappa^2^O:O')[mu-2,6-bis({bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}methyl)-4-methylphenolato-kappa^2^O:O](methanol-kappaO)dizinc bis(perchlorate)
CID 139086488
[N,N'-Bis(2-oxidobenzyl-kappaO)-N,N'-bis(pyridin-2-ylmethyl-kappaN)ethylenediamine-kappa^2^N,N'](nitrato-kappa^2^O,O')terbium(III)
CID 139087184
Dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate
CID 139117844
Benzene;tetrakis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);tetrakis(1-oxidopyridin-1-ium);tetrakis(oxygen(2-));uranium
CID 139123341
Bis(2-[[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate);bis(manganese(2+));diperchlorate;trihydrate
CID 139125139
ZINC;acetonitrile;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenolate
CID 139131609
Dicopper;2,6-bis[[(6-fluoro-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;hydroxide;diperchlorate;hydrate
CID 139132383
Dicopper;2,6-bis[[(6-fluoro-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;oxolane;hydroxide;diperchlorate
CID 139132384

Frequently Asked Questions

What is the IUPAC name of dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate?
The IUPAC name of dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate (CID 139132812) is dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate.
What is the SMILES notation for dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate?
The canonical SMILES for dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate is [Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1c(CN(Cc2ccccn2)Cc2ccccn2)cc(F)cc1CN(Cc1ccccn1)Cc1ccccn1.[OH-].
What is the InChIKey of dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate?
The InChIKey is NHQSMOQYKFRHIN-UHFFFAOYSA-J. The full InChI is InChI=1S/C32H31FN6O.2ClHO4.2Cu.H2O/c33-27-17-25(19-38(21-28-9-1-5-13-34-28)22-29-10-2-6-14-35-29)32(40)26(18-27)20-39(23-30-11-3-7-15-36-30)24-31-12-4-8-16-37-31;2*2-1(3,4)5;;;/h1-18,40H,19-24H2;2*(H,2,3,4,5);;;1H2/q;;;2*+2;/p-4.
What are the key properties of dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate?
dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate has a molecular weight of 876.63 g/mol, XLogP of -4.81, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate is sourced from PubChem (CID 139132812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).