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

C46H62Cl2Cu2N8O12 — CID 139130917

IUPACdicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate
SMILESCO.CO.C[O-].C[O-].Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C21H24N4.2CH4O.2CH3O.2ClHO4.2Cu/c2*1-17-7-5-10-20(23-17)15-25(14-12-19-9-3-4-13-22-19)16-21-11-6-8-18(2)24-21;4*1-2;2*2-1(3,4)5;;/h2*3-11,13H,12,14-16H2,1-2H3;2*2H,1H3;2*1H3;2*(H,2,3,4,5);;/q;;;;2*-1;;;2*+2/p-2
InChIKeyWEBMZYPLBANELG-UHFFFAOYSA-L
MW1117.04 g/mol
LogP-4.88
Rot. Bonds14

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

dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate (PubChem CID 139130917) has the molecular formula C46H62Cl2Cu2N8O12 and a molecular weight of 1117.04 g/mol. Its IUPAC name is dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate.

Molecular Properties

Compound Namedicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate
PubChem CID139130917
Molecular FormulaC46H62Cl2Cu2N8O12
Molecular Weight1117.04 g/mol
Exact Mass1114.25
IUPAC Namedicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate
SMILESCO.CO.C[O-].C[O-].Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C21H24N4.2CH4O.2CH3O.2ClHO4.2Cu/c2*1-17-7-5-10-20(23-17)15-25(14-12-19-9-3-4-13-22-19)16-21-11-6-8-18(2)24-21;4*1-2;2*2-1(3,4)5;;/h2*3-11,13H,12,14-16H2,1-2H3;2*2H,1H3;2*1H3;2*(H,2,3,4,5);;/q;;;;2*-1;;;2*+2/p-2
InChIKeyWEBMZYPLBANELG-UHFFFAOYSA-L
XLogP-4.88
TPSA354.88 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001117.04
LogP ≤ 5-4.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
bis(europium(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrakis(trifluoromethanesulfonate);dihydroxide
CID 139129491
[Mn2III,IV(O)2(terpy)2(CF3CO2)2](ClO4).CH3CN
CID 139132892
bis(iron(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(trifluoromethanesulfonate);dihydroxide
CID 168337016
bis(iron(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate);hydroxide;hydrate
CID 168337078
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
Tris(2,2'-bipyridine)diperchloratoruthenium
CID 139144531
bis(manganese(3+));bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetraphenylboranuide)
CID 139036841
Bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate
CID 139038760
bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate
CID 139045171
dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate
CID 139045230

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate?
The IUPAC name of dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate (CID 139130917) is dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate.
What is the SMILES notation for dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate?
The canonical SMILES for dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate is CO.CO.C[O-].C[O-].Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)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,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate?
The InChIKey is WEBMZYPLBANELG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H24N4.2CH4O.2CH3O.2ClHO4.2Cu/c2*1-17-7-5-10-20(23-17)15-25(14-12-19-9-3-4-13-22-19)16-21-11-6-8-18(2)24-21;4*1-2;2*2-1(3,4)5;;/h2*3-11,13H,12,14-16H2,1-2H3;2*2H,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,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate?
dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate has a molecular weight of 1117.04 g/mol, XLogP of -4.88, 14 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate is sourced from PubChem (CID 139130917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).