copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate

C30H27Cl2CuN9O8 — CID 139038474

IUPACcopper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate
SMILESCC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cn(Cc3ccccn3)nn2)cc1.c1ccc(-c2cn(Cc3ccccn3)nn2)cc1
InChIInChI=1S/2C14H12N4.C2H3N.2ClHO4.Cu/c2*1-2-6-12(7-3-1)14-11-18(17-16-14)10-13-8-4-5-9-15-13;1-2-3;2*2-1(3,4)5;/h2*1-9,11H,10H2;1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyUXGAYVVNYKLRTK-UHFFFAOYSA-L
MW776.05 g/mol
LogP-4.21
Rot. Bonds6

About copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate

copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate (PubChem CID 139038474) has the molecular formula C30H27Cl2CuN9O8 and a molecular weight of 776.05 g/mol. Its IUPAC name is copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate.

Molecular Properties

Compound Namecopper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate
PubChem CID139038474
Molecular FormulaC30H27Cl2CuN9O8
Molecular Weight776.05 g/mol
Exact Mass774.07
IUPAC Namecopper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate
SMILESCC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cn(Cc3ccccn3)nn2)cc1.c1ccc(-c2cn(Cc3ccccn3)nn2)cc1
InChIInChI=1S/2C14H12N4.C2H3N.2ClHO4.Cu/c2*1-2-6-12(7-3-1)14-11-18(17-16-14)10-13-8-4-5-9-15-13;1-2-3;2*2-1(3,4)5;/h2*1-9,11H,10H2;1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyUXGAYVVNYKLRTK-UHFFFAOYSA-L
XLogP-4.21
TPSA295.47 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.05
LogP ≤ 5-4.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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Related Compounds

Dicopper;bis(1,10-phenanthroline);tetracyanate
CID 139054928
Copper;bis(1,10-phenanthroline);isothiocyanate;perchlorate
CID 139057283
(Dicyanamido-kappaN^1^)bis(1,10-phenanthroline-kappa^2^N,N')copper(II) perchlorate
CID 139059379
Bis(3-aminopyridine-kappaN)(4,4-dimethyl-2,2'-bipyridine-kappa^2^N,N')(perchlorato-kappaO)copper(II) perchlorate
CID 139059899
Bis[2-(4,6-diphenyl-2-pyridyl)pyridine-kappa^2^N,N]copper(I) perchlorate dichloromethane solvate
CID 139067355
Bis[mu-1-(2-pyridylmethyl)-1H-benzotriazole]disilver(I) bis(perchlorate)
CID 139077800
Mn(h1-OClO3)2(phen)2
CID 139120056
dicopper;bis(N-benzyl-N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanolate;diperchlorate
CID 139130513
Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate
CID 139132081
Bis(acetonitrile);palladium(2+);bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139132083
Bis(acetonitrile);bis(2-[(4-benzyltriazol-1-yl)methyl]pyridine);palladium(2+);ditetrafluoroborate
CID 139135878
Copper;2,6-bis[(4-phenyltriazol-1-yl)methyl]pyridine;dinitrate
CID 139137073

Frequently Asked Questions

What is the IUPAC name of copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate?
The IUPAC name of copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate (CID 139038474) is copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate.
What is the SMILES notation for copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate?
The canonical SMILES for copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate is CC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cn(Cc3ccccn3)nn2)cc1.c1ccc(-c2cn(Cc3ccccn3)nn2)cc1.
What is the InChIKey of copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate?
The InChIKey is UXGAYVVNYKLRTK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H12N4.C2H3N.2ClHO4.Cu/c2*1-2-6-12(7-3-1)14-11-18(17-16-14)10-13-8-4-5-9-15-13;1-2-3;2*2-1(3,4)5;/h2*1-9,11H,10H2;1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate?
copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate has a molecular weight of 776.05 g/mol, XLogP of -4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate is sourced from PubChem (CID 139038474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).