dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate

C44H52Cl2Cu2N6O10 — CID 139060142

IUPACdicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate
SMILESCc1cccc(CN(CCc2ccccc2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccc2)Cc2cccc(C)n2)n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-].[OH-]
InChIInChI=1S/2C22H25N3.2ClHO4.2Cu.2H2O/c2*1-18-8-6-12-21(23-18)16-25(15-14-20-10-4-3-5-11-20)17-22-13-7-9-19(2)24-22;2*2-1(3,4)5;;;;/h2*3-13H,14-17H2,1-2H3;2*(H,2,3,4,5);;;2*1H2/q;;;;2*+2;;/p-4
InChIKeySPRZPCMIKUCBIO-UHFFFAOYSA-J
MW1022.93 g/mol
LogP-1.19
Rot. Bonds14

About dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate

dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate (PubChem CID 139060142) has the molecular formula C44H52Cl2Cu2N6O10 and a molecular weight of 1022.93 g/mol. Its IUPAC name is dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate.

Molecular Properties

Compound Namedicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate
PubChem CID139060142
Molecular FormulaC44H52Cl2Cu2N6O10
Molecular Weight1022.93 g/mol
Exact Mass1020.17
IUPAC Namedicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate
SMILESCc1cccc(CN(CCc2ccccc2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccc2)Cc2cccc(C)n2)n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-].[OH-]
InChIInChI=1S/2C22H25N3.2ClHO4.2Cu.2H2O/c2*1-18-8-6-12-21(23-18)16-25(15-14-20-10-4-3-5-11-20)17-22-13-7-9-19(2)24-22;2*2-1(3,4)5;;;;/h2*3-13H,14-17H2,1-2H3;2*(H,2,3,4,5);;;2*1H2/q;;;;2*+2;;/p-4
InChIKeySPRZPCMIKUCBIO-UHFFFAOYSA-J
XLogP-1.19
TPSA302.52 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.93
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate with MolForge

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Launch Full Analysis

Related Compounds

Cu-tpbn
CID 139048259
[Zn(bqbpen)](ClO4)2.H2O
CID 139060431
Bis[4'-(4-methylphenyl)-2,2':6',2''-terpyridine-kappa^3^N,N', N'']manganese(II) bis(perchlorate)
CID 139072923
[(4-Methylbenzyl)bis(pyridin-2-ylmethyl)amine-kappa^3^N,N',N'']bis(thiocyanato-kappaS)copper(II) dichloromethane hemisolvate
CID 139083447
(bztmpen)Ni
CID 139088351
dicopper;bis(acetonitrile);bis(1-phenyl-N,N-bis[(6-phenyl-2-pyridinyl)methyl]methanamine);tetraperchlorate
CID 139117843
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
dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate
CID 139130917

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate?
The IUPAC name of dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate (CID 139060142) is dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate.
What is the SMILES notation for dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate?
The canonical SMILES for dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate is Cc1cccc(CN(CCc2ccccc2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccc2)Cc2cccc(C)n2)n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-].[OH-].
What is the InChIKey of dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate?
The InChIKey is SPRZPCMIKUCBIO-UHFFFAOYSA-J. The full InChI is InChI=1S/2C22H25N3.2ClHO4.2Cu.2H2O/c2*1-18-8-6-12-21(23-18)16-25(15-14-20-10-4-3-5-11-20)17-22-13-7-9-19(2)24-22;2*2-1(3,4)5;;;;/h2*3-13H,14-17H2,1-2H3;2*(H,2,3,4,5);;;2*1H2/q;;;;2*+2;;/p-4.
What are the key properties of dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate?
dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate has a molecular weight of 1022.93 g/mol, XLogP of -1.19, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine);dihydroxide;diperchlorate is sourced from PubChem (CID 139060142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).