dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate

C44H46Cl2Cu2F6N6O10 — CID 139130514

IUPACdicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate
SMILESC[O-].C[O-].FC(F)(F)c1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.FC(F)(F)c1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C21H20F3N3.2CH3O.2ClHO4.2Cu/c2*22-21(23,24)20-11-6-10-19(26-20)16-27(15-17-7-2-1-3-8-17)14-12-18-9-4-5-13-25-18;2*1-2;2*2-1(3,4)5;;/h2*1-11,13H,12,14-16H2;2*1H3;2*(H,2,3,4,5);;/q;;2*-1;;;2*+2/p-2
InChIKeySNZMMOQIJYBLHD-UHFFFAOYSA-L
MW1130.87 g/mol
LogP-2.08
Rot. Bonds14

About dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate

dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate (PubChem CID 139130514) has the molecular formula C44H46Cl2Cu2F6N6O10 and a molecular weight of 1130.87 g/mol. Its IUPAC name is dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate.

Molecular Properties

Compound Namedicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate
PubChem CID139130514
Molecular FormulaC44H46Cl2Cu2F6N6O10
Molecular Weight1130.87 g/mol
Exact Mass1128.11
IUPAC Namedicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate
SMILESC[O-].C[O-].FC(F)(F)c1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.FC(F)(F)c1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C21H20F3N3.2CH3O.2ClHO4.2Cu/c2*22-21(23,24)20-11-6-10-19(26-20)16-27(15-17-7-2-1-3-8-17)14-12-18-9-4-5-13-25-18;2*1-2;2*2-1(3,4)5;;/h2*1-11,13H,12,14-16H2;2*1H3;2*(H,2,3,4,5);;/q;;2*-1;;;2*+2/p-2
InChIKeySNZMMOQIJYBLHD-UHFFFAOYSA-L
XLogP-2.08
TPSA288.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.87
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate with MolForge

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Related Compounds

[Co(bpy(PYCF3)2)(MeCN)(OTf)](OTf)
CID 139042186
[Cu(bpy2py))2OTf*2CH3CN
CID 139042424
[Co(bpy2pyCF3)OTf)OTf*5CH3CN
CID 139042426
copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+)
CID 139142956
Dicopper;7,22-bis(pyridin-2-ylmethyl)-3,7,11,18,22,26-hexazatricyclo[26.2.2.213,16]tetratriaconta-1(31),2,11,13,15,17,26,28(32),29,33-decaene;ethoxyethane;bis(trifluoromethanesulfonate)
CID 168336823
ron(2+), tris(4,4a(2)-dimethyl-2,2a(2)-bipyridine-I masculineN1,I masculineN1a(2))-, (OC-6-11)-, perchlorate (1:2)
CID 165360862
CID 162450497
CID 162450497
Bis[2-(4,6-diphenyl-2-pyridyl)pyridine-kappa^2^N,N]copper(I) perchlorate dichloromethane solvate
CID 139067355
dicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate
CID 139130513
tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate
CID 139131145
bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate
CID 139132833
Bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate
CID 139146568

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate?
The IUPAC name of dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate (CID 139130514) is dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate.
What is the SMILES notation for dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate?
The canonical SMILES for dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate is C[O-].C[O-].FC(F)(F)c1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.FC(F)(F)c1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate?
The InChIKey is SNZMMOQIJYBLHD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H20F3N3.2CH3O.2ClHO4.2Cu/c2*22-21(23,24)20-11-6-10-19(26-20)16-27(15-17-7-2-1-3-8-17)14-12-18-9-4-5-13-25-18;2*1-2;2*2-1(3,4)5;;/h2*1-11,13H,12,14-16H2;2*1H3;2*(H,2,3,4,5);;/q;;2*-1;;;2*+2/p-2.
What are the key properties of dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate?
dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate has a molecular weight of 1130.87 g/mol, XLogP of -2.08, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate is sourced from PubChem (CID 139130514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).