copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate

C37H41Cl3CuN12O12Zn — CID 139183809

IUPACcopper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1ccc(CN(Cc2ccccn2)Cc2nc[n-]c2CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C29H29N8.4C2H3N.3ClHO4.Cu.Zn/c1-5-13-30-24(9-1)17-36(18-25-10-2-6-14-31-25)21-28-29(35-23-34-28)22-37(19-26-11-3-7-15-32-26)20-27-12-4-8-16-33-27;4*1-2-3;3*2-1(3,4)5;;/h1-16,23H,17-22H2;4*1H3;3*(H,2,3,4,5);;/q-1;;;;;;;;2*+2/p-3
InChIKeyXUXSZQINGXICDN-UHFFFAOYSA-K
MW1081.10 g/mol
LogP-8.13
Rot. Bonds12

About copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate

copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate (PubChem CID 139183809) has the molecular formula C37H41Cl3CuN12O12Zn and a molecular weight of 1081.10 g/mol. Its IUPAC name is copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate.

Molecular Properties

Compound Namecopper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate
PubChem CID139183809
Molecular FormulaC37H41Cl3CuN12O12Zn
Molecular Weight1081.10 g/mol
Exact Mass1077.06
IUPAC Namecopper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1ccc(CN(Cc2ccccn2)Cc2nc[n-]c2CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C29H29N8.4C2H3N.3ClHO4.Cu.Zn/c1-5-13-30-24(9-1)17-36(18-25-10-2-6-14-31-25)21-28-29(35-23-34-28)22-37(19-26-11-3-7-15-32-26)20-27-12-4-8-16-33-27;4*1-2-3;3*2-1(3,4)5;;/h1-16,23H,17-22H2;4*1H3;3*(H,2,3,4,5);;/q-1;;;;;;;;2*+2/p-3
InChIKeyXUXSZQINGXICDN-UHFFFAOYSA-K
XLogP-8.13
TPSA456.91 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.10
LogP ≤ 5-8.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate with MolForge

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Related Compounds

2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine
CID 161016923
2-Imidazol-3-id-2-yl-6-pyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 66575096
2-(Imidazol-1-ylmethyl)-6-[[3-[[6-[6-[[3-[[6-(imidazol-1-ylmethyl)-2-pyridinyl]methyl]imidazol-3-ium-1-yl]methyl]-2-pyridinyl]-2-pyridinyl]methyl]imidazol-1-ium-1-yl]methyl]pyridine
CID 12167819
2,6-Dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate
CID 139036881
CID 139036882
CID 139036882
[Pt(tpy)(MeIm)](ClO4)2.CH3CN
CID 139055029
bis[2,4,6-tris(2-pyridyl)-1,3,5-triazine-kappa^2^N^2^,N^4^]zinc(II) hexaoxo-mu-peroxo-disulfate(VI) dihydrate
CID 139059231
Di-mu~2~-sulfito-kappa^4^O,O':kappa^4^O',O''-[2,4,6-tris(2-pyridyl)-1,3,5-triazine-kappa^3^N^2^,N^1^,N^6^]cadmium(II) octahydrate
CID 139059783
tetrakis[mu-3,5-bis(2-pyridyl)-1,2,4-triazolido]bis[3,5-bis(2-pyridyl)-1,2,4-triazolido]dicopper(I)dicopper(II) dihydrate
CID 139060989
Bis(2,2'-bipyridine)[2-(2-pyridyl)-1H-benzimidazol-1-yl]ruthenium(II) perchlorate acetonitrile solvate monohydrate
CID 139069200
Bis[(imidazol-4-ylmethyl)(2-pyridylmethyl)amine-kappa^3^N,N',N'']nickel(II) dichloride dihydrate
CID 139069737
bis[2-(5-(pyridin-3-yl)-1,2,4-triazol-3-yl)pyrazine]copper(II)
CID 139083719

Frequently Asked Questions

What is the IUPAC name of copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate?
The IUPAC name of copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate (CID 139183809) is copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate.
What is the SMILES notation for copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate?
The canonical SMILES for copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate is CC#N.CC#N.CC#N.CC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1ccc(CN(Cc2ccccn2)Cc2nc[n-]c2CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate?
The InChIKey is XUXSZQINGXICDN-UHFFFAOYSA-K. The full InChI is InChI=1S/C29H29N8.4C2H3N.3ClHO4.Cu.Zn/c1-5-13-30-24(9-1)17-36(18-25-10-2-6-14-31-25)21-28-29(35-23-34-28)22-37(19-26-11-3-7-15-32-26)20-27-12-4-8-16-33-27;4*1-2-3;3*2-1(3,4)5;;/h1-16,23H,17-22H2;4*1H3;3*(H,2,3,4,5);;/q-1;;;;;;;;2*+2/p-3.
What are the key properties of copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate?
copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate has a molecular weight of 1081.10 g/mol, XLogP of -8.13, 12 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate is sourced from PubChem (CID 139183809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).