copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate

C20H22CuN5O13Tb — CID 139036889

IUPACcopper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate
SMILESCCOc1cccc(/C=N/CC/N=C/c2cccc(OCC)c2[O-])c1[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Tb+3]
InChIInChI=1S/C20H24N2O4.Cu.3NO3.Tb/c1-3-25-17-9-5-7-15(19(17)23)13-21-11-12-22-14-16-8-6-10-18(20(16)24)26-4-2;;3*2-1(3)4;/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3;;;;;/q;+2;3*-1;+3/p-2/b21-13+,22-14+;;;;;
InChIKeyDERIROSBQAVUDU-DRWYYLSLSA-L
MW762.89 g/mol
LogP1.45
Rot. Bonds9

About copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate

copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate (PubChem CID 139036889) has the molecular formula C20H22CuN5O13Tb and a molecular weight of 762.89 g/mol. Its IUPAC name is copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate.

Molecular Properties

Compound Namecopper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate
PubChem CID139036889
Molecular FormulaC20H22CuN5O13Tb
Molecular Weight762.89 g/mol
Exact Mass761.98
IUPAC Namecopper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate
SMILESCCOc1cccc(/C=N/CC/N=C/c2cccc(OCC)c2[O-])c1[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Tb+3]
InChIInChI=1S/C20H24N2O4.Cu.3NO3.Tb/c1-3-25-17-9-5-7-15(19(17)23)13-21-11-12-22-14-16-8-6-10-18(20(16)24)26-4-2;;3*2-1(3)4;/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3;;;;;/q;+2;3*-1;+3/p-2/b21-13+,22-14+;;;;;
InChIKeyDERIROSBQAVUDU-DRWYYLSLSA-L
XLogP1.45
TPSA287.90 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.89
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;2-ethoxy-6-[[(2R)-2-[(3-ethoxy-2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate;methanol;neodymium(3+);trinitrate
CID 139199100
dicopper;bis(2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);propan-2-one;rubidium(1+);tetraphenylboranuide;hydrate
CID 139197722
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
bis(2-methoxy-6-[2-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenolate);bis(yttrium(3+));dinitrate
CID 139116350
bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)
CID 139082752
lanthanum(3+);methanol;2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate;nickel(2+);trinitrate
CID 139075236
dizinc;acetonitrile;lanthanum(3+);bis(2-methoxy-6-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);diisothiocyanate;nitrate
CID 139167142
sodium 2-ethoxy-6-formylphenolate
CID 102504150
dicopper;bis(2-[2-(2-aminoethylamino)ethyliminomethyl]-6-hydroxyphenolate);ethanol;dinitrate
CID 139087726
sodium;cobalt(3+);2-ethoxy-6-[[3-[(3-ethoxy-2-oxidophenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenolate;diisothiocyanate;hydrate
CID 139171905
bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)
CID 139168001
heptakis(cobalt(2+));hexakis(2-methoxy-6-(methyliminomethyl)phenolate);hexahydroxide;dinitrate
CID 139158186

Frequently Asked Questions

What is the IUPAC name of copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate?
The IUPAC name of copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate (CID 139036889) is copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate.
What is the SMILES notation for copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate?
The canonical SMILES for copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate is CCOc1cccc(/C=N/CC/N=C/c2cccc(OCC)c2[O-])c1[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Tb+3].
What is the InChIKey of copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate?
The InChIKey is DERIROSBQAVUDU-DRWYYLSLSA-L. The full InChI is InChI=1S/C20H24N2O4.Cu.3NO3.Tb/c1-3-25-17-9-5-7-15(19(17)23)13-21-11-12-22-14-16-8-6-10-18(20(16)24)26-4-2;;3*2-1(3)4;/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3;;;;;/q;+2;3*-1;+3/p-2/b21-13+,22-14+;;;;;.
What are the key properties of copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate?
copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate has a molecular weight of 762.89 g/mol, XLogP of 1.45, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate is sourced from PubChem (CID 139036889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).