dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate

C66H60Cl4Cu2N8O16 — CID 139117843

IUPACdicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate
SMILESCC#N.CC#N.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN(Cc2cccc(-c3ccccc3)n2)Cc2cccc(-c3ccccc3)n2)cc1.c1ccc(CN(Cc2cccc(-c3ccccc3)n2)Cc2cccc(-c3ccccc3)n2)cc1
InChIInChI=1S/2C31H27N3.2C2H3N.4ClHO4.2Cu/c2*1-4-12-25(13-5-1)22-34(23-28-18-10-20-30(32-28)26-14-6-2-7-15-26)24-29-19-11-21-31(33-29)27-16-8-3-9-17-27;2*1-2-3;4*2-1(3,4)5;;/h2*1-21H,22-24H2;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyXAWBOQYBWYZJQS-UHFFFAOYSA-J
MW1490.15 g/mol
LogP-3.94
Rot. Bonds16

About dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate

dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate (PubChem CID 139117843) has the molecular formula C66H60Cl4Cu2N8O16 and a molecular weight of 1490.15 g/mol. Its IUPAC name is dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate.

Molecular Properties

Compound Namedicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate
PubChem CID139117843
Molecular FormulaC66H60Cl4Cu2N8O16
Molecular Weight1490.15 g/mol
Exact Mass1486.15
IUPAC Namedicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate
SMILESCC#N.CC#N.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN(Cc2cccc(-c3ccccc3)n2)Cc2cccc(-c3ccccc3)n2)cc1.c1ccc(CN(Cc2cccc(-c3ccccc3)n2)Cc2cccc(-c3ccccc3)n2)cc1
InChIInChI=1S/2C31H27N3.2C2H3N.4ClHO4.2Cu/c2*1-4-12-25(13-5-1)22-34(23-28-18-10-20-30(32-28)26-14-6-2-7-15-26)24-29-19-11-21-31(33-29)27-16-8-3-9-17-27;2*1-2-3;4*2-1(3,4)5;;/h2*1-21H,22-24H2;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyXAWBOQYBWYZJQS-UHFFFAOYSA-J
XLogP-3.94
TPSA474.58 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001490.15
LogP ≤ 5-3.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate 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

Di-mu-hydroxo-bis{[bis(6-methyl-2-pyridylmethyl)(2-phenylethyl)amine-kappa^3^N',N'',N''']copper(II)} bis(perchlorate)
CID 139060142
Bis[4'-(4-methylphenyl)-2,2':6',2''-terpyridine-kappa^3^N,N', N'']manganese(II) bis(perchlorate)
CID 139072923
Acetonitrile;2-[[4,7-bis(quinolin-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]quinoline;lead(2+);diperchlorate
CID 139127105
copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate
CID 139128651
zinc;tris(acetonitrile);1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate
CID 139130853
dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate
CID 139130854
dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate
CID 139130879
Acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
CID 139139277
Bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate
CID 139142958
bis(cobalt(3+));trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N,2-N-dibenzyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;diperchlorate;diperoxide
CID 139143792
Iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate
CID 139145220
ZINC;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate
CID 139157400

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate?
The IUPAC name of dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate (CID 139117843) is dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate.
What is the SMILES notation for dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate?
The canonical SMILES for dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate is CC#N.CC#N.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN(Cc2cccc(-c3ccccc3)n2)Cc2cccc(-c3ccccc3)n2)cc1.c1ccc(CN(Cc2cccc(-c3ccccc3)n2)Cc2cccc(-c3ccccc3)n2)cc1.
What is the InChIKey of dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate?
The InChIKey is XAWBOQYBWYZJQS-UHFFFAOYSA-J. The full InChI is InChI=1S/2C31H27N3.2C2H3N.4ClHO4.2Cu/c2*1-4-12-25(13-5-1)22-34(23-28-18-10-20-30(32-28)26-14-6-2-7-15-26)24-29-19-11-21-31(33-29)27-16-8-3-9-17-27;2*1-2-3;4*2-1(3,4)5;;/h2*1-21H,22-24H2;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate?
dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate has a molecular weight of 1490.15 g/mol, XLogP of -3.94, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate is sourced from PubChem (CID 139117843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).