copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate

C22H22CuN2O2 — CID 139206803

IUPACcopper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate
SMILESCC(/C=C(\[O-])c1ccccc1)=N\CC/N=C(C)/C=C(\[O-])c1ccccc1.[Cu+2]
InChIInChI=1S/C22H24N2O2.Cu/c1-17(15-21(25)19-9-5-3-6-10-19)23-13-14-24-18(2)16-22(26)20-11-7-4-8-12-20;/h3-12,15-16,25-26H,13-14H2,1-2H3;/q;+2/p-2/b21-15-,22-16-,23-17+,24-18+;
InChIKeyZWSLBBIGEVDGKF-GNVHNOTCSA-L
MW409.98 g/mol
LogP2.71
Rot. Bonds7

About copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate

copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate (PubChem CID 139206803) has the molecular formula C22H22CuN2O2 and a molecular weight of 409.98 g/mol. Its IUPAC name is copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate.

Molecular Properties

Compound Namecopper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate
PubChem CID139206803
Molecular FormulaC22H22CuN2O2
Molecular Weight409.98 g/mol
Exact Mass409.10
IUPAC Namecopper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate
SMILESCC(/C=C(\[O-])c1ccccc1)=N\CC/N=C(C)/C=C(\[O-])c1ccccc1.[Cu+2]
InChIInChI=1S/C22H24N2O2.Cu/c1-17(15-21(25)19-9-5-3-6-10-19)23-13-14-24-18(2)16-22(26)20-11-7-4-8-12-20;/h3-12,15-16,25-26H,13-14H2,1-2H3;/q;+2/p-2/b21-15-,22-16-,23-17+,24-18+;
InChIKeyZWSLBBIGEVDGKF-GNVHNOTCSA-L
XLogP2.71
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.98
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate;technetium-99;bis(trimethylphosphane)
CID 5461987
copper;(Z)-3-imino-1-phenylbut-1-en-1-olate;N,N,N',N'-tetramethylethane-1,2-diamine;perchlorate
CID 139041428
Copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate
CID 139055561
(N,N'-bis(1-Benzylisopropylidene)propane-1,3-diamine-copper(ii)
CID 139063959
copper;(Z)-3-[(2S)-2-aminopropyl]imino-1-phenylbut-1-en-1-olate;nitrite
CID 139128437
copper;(Z)-3-(2-aminoethylimino)-1-phenylbut-1-en-1-olate;nitrite
CID 139128439
copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite
CID 139128441
copper;(Z)-3-[2-(dimethylamino)ethylimino]-1-phenylbut-1-en-1-olate;isocyanate
CID 139155740
dicopper;bis((Z)-3-[2-(dimethylamino)ethylimino]-1-phenylbut-1-en-1-olate);diacetate;hydrate
CID 139172957
N,N'-Ethylenebis(1,5-diphenyl-2,5-pentanedioneiminato)copper(II)
CID 139195274
Ni(B-Et)2
CID 139203463
Cu(B-Et)2
CID 139203464

Frequently Asked Questions

What is the IUPAC name of copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate?
The IUPAC name of copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate (CID 139206803) is copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate.
What is the SMILES notation for copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate?
The canonical SMILES for copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate is CC(/C=C(\[O-])c1ccccc1)=N\CC/N=C(C)/C=C(\[O-])c1ccccc1.[Cu+2].
What is the InChIKey of copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate?
The InChIKey is ZWSLBBIGEVDGKF-GNVHNOTCSA-L. The full InChI is InChI=1S/C22H24N2O2.Cu/c1-17(15-21(25)19-9-5-3-6-10-19)23-13-14-24-18(2)16-22(26)20-11-7-4-8-12-20;/h3-12,15-16,25-26H,13-14H2,1-2H3;/q;+2/p-2/b21-15-,22-16-,23-17+,24-18+;.
What are the key properties of copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate?
copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate has a molecular weight of 409.98 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper (Z)-3-[2-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]ethylimino]-1-phenylbut-1-en-1-olate is sourced from PubChem (CID 139206803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).