dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate

C38H36Cl2Cu2N6O10 — CID 139057719

IUPACdicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
SMILES[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1.[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/2C19H19N3O.2ClHO4.2Cu/c2*23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;2*2-1(3,4)5;;/h2*1-12,23H,13-15H2;2*(H,2,3,4,5);;/q;;;;2*+2/p-4
InChIKeyGFVJNKIGUXYICC-UHFFFAOYSA-J
MW934.74 g/mol
LogP-4.01
Rot. Bonds12

About dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate

dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate (PubChem CID 139057719) has the molecular formula C38H36Cl2Cu2N6O10 and a molecular weight of 934.74 g/mol. Its IUPAC name is dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate.

Molecular Properties

Compound Namedicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
PubChem CID139057719
Molecular FormulaC38H36Cl2Cu2N6O10
Molecular Weight934.74 g/mol
Exact Mass932.05
IUPAC Namedicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
SMILES[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1.[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/2C19H19N3O.2ClHO4.2Cu/c2*23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;2*2-1(3,4)5;;/h2*1-12,23H,13-15H2;2*(H,2,3,4,5);;/q;;;;2*+2/p-4
InChIKeyGFVJNKIGUXYICC-UHFFFAOYSA-J
XLogP-4.01
TPSA288.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.74
LogP ≤ 5-4.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

Dizinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;trifluoromethanesulfonate;diacetate
CID 168335209
dizinc;bis(2-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]phenolate);dicyanate
CID 139041447
tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate
CID 139045128
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);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium
CID 139052350
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
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide
CID 139052354
oxo (N,N'-bis(2-hydroxybenzyl)-N-(methyl)-N'-(pyridylmethyl)-1,3-propanodiamine)-vanadium (IV) hemihydrate
CID 139057303
Di-mu-perchlorato-bis{mu-2-[(2-pyridyl)methylaminomethyl]phenolato)dicopper(II) acetonitrile disolvate
CID 139077077
Bis[mu-2-(2-pyridylmethylaminomethyl)phenolato]-kappa^4^N,N',O:O; kappa^4^O:N,N',O-bis[(thiocyanato-kappaN)copper(II)]
CID 139077263
(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

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate?
The IUPAC name of dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate (CID 139057719) is dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate.
What is the SMILES notation for dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate?
The canonical SMILES for dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate is [Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1.[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate?
The InChIKey is GFVJNKIGUXYICC-UHFFFAOYSA-J. The full InChI is InChI=1S/2C19H19N3O.2ClHO4.2Cu/c2*23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;2*2-1(3,4)5;;/h2*1-12,23H,13-15H2;2*(H,2,3,4,5);;/q;;;;2*+2/p-4.
What are the key properties of dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate?
dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate has a molecular weight of 934.74 g/mol, XLogP of -4.01, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate is sourced from PubChem (CID 139057719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).