tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate)

C64H64Cu4N8O12 — CID 139055536

IUPACtetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate)
SMILESCCc1ccncc1.CCc1ccncc1.CCc1ccncc1.CCc1ccncc1.O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/4C9H9NO3.4C7H9N.4Cu/c4*11-8-4-2-1-3-7(8)5-10-6-9(12)13;4*1-2-7-3-5-8-6-4-7;;;;/h4*1-5,11H,6H2,(H,12,13);4*3-6H,2H2,1H3;;;;/q;;;;;;;;4*+2/p-8/b4*10-5+;;;;;;;;
InChIKeyPTDBCKLUSZRMIY-XMZYHHQUSA-F
MW1391.44 g/mol
LogP2.28
Rot. Bonds16

About tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate)

tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate) (PubChem CID 139055536) has the molecular formula C64H64Cu4N8O12 and a molecular weight of 1391.44 g/mol. Its IUPAC name is tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate).

Molecular Properties

Compound Nametetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate)
PubChem CID139055536
Molecular FormulaC64H64Cu4N8O12
Molecular Weight1391.44 g/mol
Exact Mass1388.18
IUPAC Nametetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate)
SMILESCCc1ccncc1.CCc1ccncc1.CCc1ccncc1.CCc1ccncc1.O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/4C9H9NO3.4C7H9N.4Cu/c4*11-8-4-2-1-3-7(8)5-10-6-9(12)13;4*1-2-7-3-5-8-6-4-7;;;;/h4*1-5,11H,6H2,(H,12,13);4*3-6H,2H2,1H3;;;;/q;;;;;;;;4*+2/p-8/b4*10-5+;;;;;;;;
InChIKeyPTDBCKLUSZRMIY-XMZYHHQUSA-F
XLogP2.28
TPSA353.76 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001391.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)
CID 139043809
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);hexane;bis(iron(3+));tetrakis(oxygen(2-));octakis(pyridine);bis(uranium(4+))
CID 139052353
Aqua(pyridine-kappaN)(N-salicylideneglycinato-kappa^3^N,O,O')copper(II)
CID 139068540
Aqua(4-methylquinoline-kappaN)[N-(2-oxidobenzylidene)glycinato-kappa^3^O,N,O']copper(II) hemihydrate
CID 139074347
Bis[mu-N'-(2-methyl-1-oxidopropanylidene)-2-oxidobenzohydrazidato]tetrapyridinetrinickel(II)
CID 139081978
trans-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(nitro-kappaN)(pyridine-kappaN)cobalt(III)
CID 139088711
Tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))
CID 139184510
SuperNova
CID 139204383
(mu-4,4'-bipyridine-N,N')bis(N,N'-ethylene-bis(salicylaldiminato))dizinc(II) methanol solvate
CID 139206902
Dicopper;tetrakis(3-methylpyridine);bis(2-[(2-oxidophenyl)iminomethyl]phenolate)
CID 168342355
[Cu(SB-1)](4-dmap)2
CID 168342363

Frequently Asked Questions

What is the IUPAC name of tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate)?
The IUPAC name of tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate) (CID 139055536) is tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate).
What is the SMILES notation for tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate)?
The canonical SMILES for tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate) is CCc1ccncc1.CCc1ccncc1.CCc1ccncc1.CCc1ccncc1.O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate)?
The InChIKey is PTDBCKLUSZRMIY-XMZYHHQUSA-F. The full InChI is InChI=1S/4C9H9NO3.4C7H9N.4Cu/c4*11-8-4-2-1-3-7(8)5-10-6-9(12)13;4*1-2-7-3-5-8-6-4-7;;;;/h4*1-5,11H,6H2,(H,12,13);4*3-6H,2H2,1H3;;;;/q;;;;;;;;4*+2/p-8/b4*10-5+;;;;;;;;.
What are the key properties of tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate)?
tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate) has a molecular weight of 1391.44 g/mol, XLogP of 2.28, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetracopper;tetrakis(4-ethylpyridine);tetrakis(2-[(2-oxidophenyl)methylideneamino]acetate) is sourced from PubChem (CID 139055536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).