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

C44H52Cl2Cu2N6O10 — CID 139130513

IUPACdicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate
SMILESC[O-].C[O-].Cc1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C21H23N3.2CH3O.2ClHO4.2Cu/c2*1-18-8-7-12-21(23-18)17-24(16-19-9-3-2-4-10-19)15-13-20-11-5-6-14-22-20;2*1-2;2*2-1(3,4)5;;/h2*2-12,14H,13,15-17H2,1H3;2*1H3;2*(H,2,3,4,5);;/q;;2*-1;;;2*+2/p-2
InChIKeyXRXQSOAXTMGFEF-UHFFFAOYSA-L
MW1022.93 g/mol
LogP-3.50
Rot. Bonds14

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

dicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate (PubChem CID 139130513) has the molecular formula C44H52Cl2Cu2N6O10 and a molecular weight of 1022.93 g/mol. Its IUPAC name is dicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate.

Molecular Properties

Compound Namedicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate
PubChem CID139130513
Molecular FormulaC44H52Cl2Cu2N6O10
Molecular Weight1022.93 g/mol
Exact Mass1020.17
IUPAC Namedicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate
SMILESC[O-].C[O-].Cc1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C21H23N3.2CH3O.2ClHO4.2Cu/c2*1-18-8-7-12-21(23-18)17-24(16-19-9-3-2-4-10-19)15-13-20-11-5-6-14-22-20;2*1-2;2*2-1(3,4)5;;/h2*2-12,14H,13,15-17H2,1H3;2*1H3;2*(H,2,3,4,5);;/q;;2*-1;;;2*+2/p-2
InChIKeyXRXQSOAXTMGFEF-UHFFFAOYSA-L
XLogP-3.50
TPSA288.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.93
LogP ≤ 5-3.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Launch Full Analysis

Related Compounds

Iron(2+), tris(4,4'-dimethyl-2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 85077
Bis(2,2'-bipyridine-N,N')bis(S-nicotine-N1) ruthenium(2+) dichloride
CID 129316181
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate
CID 139130514
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
Bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);gold;dihydrate
CID 71593225
ron(2+), tris(4,4a(2)-dimethyl-2,2a(2)-bipyridine-I masculineN1,I masculineN1a(2))-, (OC-6-11)-, perchlorate (1:2)
CID 165360862
Copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate
CID 139038474
Bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate
CID 139041353
Ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+))
CID 139055121
Bis[2-(4,6-diphenyl-2-pyridyl)pyridine-kappa^2^N,N]copper(I) perchlorate dichloromethane solvate
CID 139067355
Bis(2,2'-bipyridine)-bis(oxo)dicobalt(III) diperchlorate
CID 139069368

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate?
The IUPAC name of dicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate (CID 139130513) is dicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate.
What is the SMILES notation for dicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate?
The canonical SMILES for dicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate is C[O-].C[O-].Cc1cccc(CN(CCc2ccccn2)Cc2ccccc2)n1.Cc1cccc(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-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate?
The InChIKey is XRXQSOAXTMGFEF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H23N3.2CH3O.2ClHO4.2Cu/c2*1-18-8-7-12-21(23-18)17-24(16-19-9-3-2-4-10-19)15-13-20-11-5-6-14-22-20;2*1-2;2*2-1(3,4)5;;/h2*2-12,14H,13,15-17H2,1H3;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-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate?
dicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate has a molecular weight of 1022.93 g/mol, XLogP of -3.50, 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-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate is sourced from PubChem (CID 139130513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).