copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate

C26H25Cl2CuN5O8 — CID 139128651

IUPACcopper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate
SMILESCC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)cc1
InChIInChI=1S/C24H22N4.C2H3N.2ClHO4.Cu/c1-2-9-20(10-3-1)24-14-8-13-23(27-24)19-28(17-21-11-4-6-15-25-21)18-22-12-5-7-16-26-22;1-2-3;2*2-1(3,4)5;/h1-16H,17-19H2;1H3;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyQTATWBDBMPUQRY-UHFFFAOYSA-L
MW669.97 g/mol
LogP-4.24
Rot. Bonds7

About copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate

copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate (PubChem CID 139128651) has the molecular formula C26H25Cl2CuN5O8 and a molecular weight of 669.97 g/mol. Its IUPAC name is copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate.

Molecular Properties

Compound Namecopper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate
PubChem CID139128651
Molecular FormulaC26H25Cl2CuN5O8
Molecular Weight669.97 g/mol
Exact Mass668.04
IUPAC Namecopper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate
SMILESCC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)cc1
InChIInChI=1S/C24H22N4.C2H3N.2ClHO4.Cu/c1-2-9-20(10-3-1)24-14-8-13-23(27-24)19-28(17-21-11-4-6-15-25-21)18-22-12-5-7-16-26-22;1-2-3;2*2-1(3,4)5;/h1-16H,17-19H2;1H3;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyQTATWBDBMPUQRY-UHFFFAOYSA-L
XLogP-4.24
TPSA250.18 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.97
LogP ≤ 5-4.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Launch Full Analysis

Related Compounds

(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
Acetonitrile;3-[6-[[[6-(3-aminophenyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]aniline;iron(3+);bis(trifluoromethanesulfonate)
CID 168348892
copper 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 176423549
ron(2+), tris(4,4a(2)-dimethyl-2,2a(2)-bipyridine-I masculineN1,I masculineN1a(2))-, (OC-6-11)-, perchlorate (1:2)
CID 165360862
Iridium;4-(trifluoromethyl)-2-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrrol-1-id-2-yl]pyridine;tricyanide
CID 58672260
Copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate
CID 139042690
Bis[mu-3{5}-(2-pyridyl)pyrazolido]bis[(acetonitrile)copper(II)] diperchlorate
CID 139058632
di-mu-sulfito-kappa^3^O,O':O'';kappa^3^O:O',O''-bis[(4,4'-dimethyl-2,2'-bipyridine-kappa^2^N,N')zinc(II)] dihydrate
CID 139059503
Bis(3-aminopyridine-kappaN)(4,4-dimethyl-2,2'-bipyridine-kappa^2^N,N')(perchlorato-kappaO)copper(II) perchlorate
CID 139059899
mu-{N,N'-Bis[2-(dimethylamino)ethyl]oxamidato(2-)}-1kappa^2^O,O':2kappa^4^N,N',N'',N'''-bis(4,4'-dimethyl-2,2'-bipyridine-1kappa^2^N,N')dinickel(II) bis(perchlorate)
CID 139060080
Di-mu-hydroxo-bis{[bis(6-methyl-2-pyridylmethyl)(2-phenylethyl)amine-kappa^3^N',N'',N''']copper(II)} bis(perchlorate)
CID 139060142
(Acetonitrile-kappaN)(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N)silver(I) hexafluorophosphate acetonitrile solvate
CID 139066881

Frequently Asked Questions

What is the IUPAC name of copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate?
The IUPAC name of copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate (CID 139128651) is copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate.
What is the SMILES notation for copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate?
The canonical SMILES for copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate is CC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)cc1.
What is the InChIKey of copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate?
The InChIKey is QTATWBDBMPUQRY-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H22N4.C2H3N.2ClHO4.Cu/c1-2-9-20(10-3-1)24-14-8-13-23(27-24)19-28(17-21-11-4-6-15-25-21)18-22-12-5-7-16-26-22;1-2-3;2*2-1(3,4)5;/h1-16H,17-19H2;1H3;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate?
copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate has a molecular weight of 669.97 g/mol, XLogP of -4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate is sourced from PubChem (CID 139128651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).