dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate)

C34H36Cu4F6N8O10S2 — CID 139141773

IUPACdicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate)
SMILESC/C([O-])=N\Cc1ccccn1.C/C([O-])=N\Cc1ccccn1.C/C([O-])=N\Cc1ccccn1.C/C([O-])=N\Cc1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].[Cu+2].[Cu+].[Cu+]
InChIInChI=1S/4C8H10N2O.2CHF3O3S.4Cu/c4*1-7(11)10-6-8-4-2-3-5-9-8;2*2-1(3,4)8(5,6)7;;;;/h4*2-5H,6H2,1H3,(H,10,11);2*(H,5,6,7);;;;/q;;;;;;2*+1;2*+2/p-6
InChIKeyUBISOSRCPNLMKO-UHFFFAOYSA-H
MW1149.01 g/mol
LogP1.53
Rot. Bonds8

About dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate)

dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate) (PubChem CID 139141773) has the molecular formula C34H36Cu4F6N8O10S2 and a molecular weight of 1149.01 g/mol. Its IUPAC name is dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate)
PubChem CID139141773
Molecular FormulaC34H36Cu4F6N8O10S2
Molecular Weight1149.01 g/mol
Exact Mass1145.91
IUPAC Namedicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate)
SMILESC/C([O-])=N\Cc1ccccn1.C/C([O-])=N\Cc1ccccn1.C/C([O-])=N\Cc1ccccn1.C/C([O-])=N\Cc1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].[Cu+2].[Cu+].[Cu+]
InChIInChI=1S/4C8H10N2O.2CHF3O3S.4Cu/c4*1-7(11)10-6-8-4-2-3-5-9-8;2*2-1(3,4)8(5,6)7;;;;/h4*2-5H,6H2,1H3,(H,10,11);2*(H,5,6,7);;;;/q;;;;;;2*+1;2*+2/p-6
InChIKeyUBISOSRCPNLMKO-UHFFFAOYSA-H
XLogP1.53
TPSA307.64 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.01
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766
iron(2+);1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(trifluoromethanesulfonate)
CID 53350275
bis(1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine);iron(2+);iron(3+);oxygen(2-);bis(trifluoromethanesulfonate);hydroxide
CID 53350282
Bis(palladium(2+));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydroxide
CID 139039543
[(S)-(pmpp)Mn(CF3SO3)2
CID 139040573
Cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042189
ZINC;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139048111
Di-mu-hydroxo-bis[(2,2'-bipyridine)palladium(II)] trifluoromethanesulfonate
CID 139069164
Bis(2,2'-bipyridine-kappa^2^N,N')copper(I) trifluoromethanesulfonate
CID 139069240
[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
CID 139080008
Hexakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tetrakis(rhodium);tetrakis(trifluoromethanesulfonate)
CID 139106827

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate)?
The IUPAC name of dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate) (CID 139141773) is dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate).
What is the SMILES notation for dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate)?
The canonical SMILES for dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate) is C/C([O-])=N\Cc1ccccn1.C/C([O-])=N\Cc1ccccn1.C/C([O-])=N\Cc1ccccn1.C/C([O-])=N\Cc1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].[Cu+2].[Cu+].[Cu+].
What is the InChIKey of dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate)?
The InChIKey is UBISOSRCPNLMKO-UHFFFAOYSA-H. The full InChI is InChI=1S/4C8H10N2O.2CHF3O3S.4Cu/c4*1-7(11)10-6-8-4-2-3-5-9-8;2*2-1(3,4)8(5,6)7;;;;/h4*2-5H,6H2,1H3,(H,10,11);2*(H,5,6,7);;;;/q;;;;;;2*+1;2*+2/p-6.
What are the key properties of dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate)?
dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate) has a molecular weight of 1149.01 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139141773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).