dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate

C62H52Cl2Cu2N6O10 — CID 139117844

IUPACdicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate
SMILES[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1-c1cccc(CN(Cc2ccccc2)Cc2cccc(-c3ccccc3)n2)n1.[O-]c1ccccc1-c1cccc(CN(Cc2ccccc2)Cc2cccc(-c3ccccc3)n2)n1
InChIInChI=1S/2C31H27N3O.2ClHO4.2Cu/c2*35-31-20-8-7-17-28(31)30-19-10-16-27(33-30)23-34(21-24-11-3-1-4-12-24)22-26-15-9-18-29(32-26)25-13-5-2-6-14-25;2*2-1(3,4)5;;/h2*1-20,35H,21-23H2;2*(H,2,3,4,5);;/q;;;;2*+2/p-4
InChIKeyNCZKVUIQAHWNGH-UHFFFAOYSA-J
MW1239.13 g/mol
LogP2.66
Rot. Bonds16

About dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate

dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate (PubChem CID 139117844) has the molecular formula C62H52Cl2Cu2N6O10 and a molecular weight of 1239.13 g/mol. Its IUPAC name is dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate.

Molecular Properties

Compound Namedicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate
PubChem CID139117844
Molecular FormulaC62H52Cl2Cu2N6O10
Molecular Weight1239.13 g/mol
Exact Mass1236.17
IUPAC Namedicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate
SMILES[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1-c1cccc(CN(Cc2ccccc2)Cc2cccc(-c3ccccc3)n2)n1.[O-]c1ccccc1-c1cccc(CN(Cc2ccccc2)Cc2cccc(-c3ccccc3)n2)n1
InChIInChI=1S/2C31H27N3O.2ClHO4.2Cu/c2*35-31-20-8-7-17-28(31)30-19-10-16-27(33-30)23-34(21-24-11-3-1-4-12-24)22-26-15-9-18-29(32-26)25-13-5-2-6-14-25;2*2-1(3,4)5;;/h2*1-20,35H,21-23H2;2*(H,2,3,4,5);;/q;;;;2*+2/p-4
InChIKeyNCZKVUIQAHWNGH-UHFFFAOYSA-J
XLogP2.66
TPSA288.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.13
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate
CID 139045140
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide
CID 139052352
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);hexane;bis(iron(3+));tetrakis(oxygen(2-));octakis(pyridine);bis(uranium(4+))
CID 139052353
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
(mu-Acetato-kappa^2^O:O')[mu-2,6-bis({bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}methyl)-4-methylphenolato-kappa^2^O:O](methanol-kappaO)dizinc bis(perchlorate)
CID 139086488
Benzene;tetrakis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);tetrakis(1-oxidopyridin-1-ium);tetrakis(oxygen(2-));uranium
CID 139123341
Bis(2-[[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate);bis(manganese(2+));diperchlorate;trihydrate
CID 139125139
Dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]-4-hydroxyphenolate);bis(propan-2-one);diperchlorate
CID 139132299
Dicopper;2,6-bis[[(6-fluoro-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;hydroxide;diperchlorate;hydrate
CID 139132383
Dicopper;2,6-bis[[(6-fluoro-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;oxolane;hydroxide;diperchlorate
CID 139132384
Dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate
CID 139132812
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate);dihexafluorophosphate
CID 139138847

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate?
The IUPAC name of dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate (CID 139117844) is dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate.
What is the SMILES notation for dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate?
The canonical SMILES for dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate is [Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1-c1cccc(CN(Cc2ccccc2)Cc2cccc(-c3ccccc3)n2)n1.[O-]c1ccccc1-c1cccc(CN(Cc2ccccc2)Cc2cccc(-c3ccccc3)n2)n1.
What is the InChIKey of dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate?
The InChIKey is NCZKVUIQAHWNGH-UHFFFAOYSA-J. The full InChI is InChI=1S/2C31H27N3O.2ClHO4.2Cu/c2*35-31-20-8-7-17-28(31)30-19-10-16-27(33-30)23-34(21-24-11-3-1-4-12-24)22-26-15-9-18-29(32-26)25-13-5-2-6-14-25;2*2-1(3,4)5;;/h2*1-20,35H,21-23H2;2*(H,2,3,4,5);;/q;;;;2*+2/p-4.
What are the key properties of dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate?
dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate has a molecular weight of 1239.13 g/mol, XLogP of 2.66, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate is sourced from PubChem (CID 139117844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).