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

C23H24CuN2O2 — CID 139063959

IUPACcopper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate
SMILESCC(/C=C(\[O-])c1ccccc1)=N\CCC/N=C(C)/C=C(\[O-])c1ccccc1.[Cu+2]
InChIInChI=1S/C23H26N2O2.Cu/c1-18(16-22(26)20-10-5-3-6-11-20)24-14-9-15-25-19(2)17-23(27)21-12-7-4-8-13-21;/h3-8,10-13,16-17,26-27H,9,14-15H2,1-2H3;/q;+2/p-2/b22-16-,23-17-,24-18+,25-19+;
InChIKeyRTHAVTHYCFKNBJ-OEBZLSNQSA-L
MW424.00 g/mol
LogP3.10
Rot. Bonds8

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

copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate (PubChem CID 139063959) has the molecular formula C23H24CuN2O2 and a molecular weight of 424.00 g/mol. Its IUPAC name is copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate.

Molecular Properties

Compound Namecopper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate
PubChem CID139063959
Molecular FormulaC23H24CuN2O2
Molecular Weight424.00 g/mol
Exact Mass423.11
IUPAC Namecopper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate
SMILESCC(/C=C(\[O-])c1ccccc1)=N\CCC/N=C(C)/C=C(\[O-])c1ccccc1.[Cu+2]
InChIInChI=1S/C23H26N2O2.Cu/c1-18(16-22(26)20-10-5-3-6-11-20)24-14-9-15-25-19(2)17-23(27)21-12-7-4-8-13-21;/h3-8,10-13,16-17,26-27H,9,14-15H2,1-2H3;/q;+2/p-2/b22-16-,23-17-,24-18+,25-19+;
InChIKeyRTHAVTHYCFKNBJ-OEBZLSNQSA-L
XLogP3.10
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.00
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate?
The IUPAC name of copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate (CID 139063959) is copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate.
What is the SMILES notation for copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate?
The canonical SMILES for copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate is CC(/C=C(\[O-])c1ccccc1)=N\CCC/N=C(C)/C=C(\[O-])c1ccccc1.[Cu+2].
What is the InChIKey of copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate?
The InChIKey is RTHAVTHYCFKNBJ-OEBZLSNQSA-L. The full InChI is InChI=1S/C23H26N2O2.Cu/c1-18(16-22(26)20-10-5-3-6-11-20)24-14-9-15-25-19(2)17-23(27)21-12-7-4-8-13-21;/h3-8,10-13,16-17,26-27H,9,14-15H2,1-2H3;/q;+2/p-2/b22-16-,23-17-,24-18+,25-19+;.
What are the key properties of copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate?
copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate has a molecular weight of 424.00 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper (Z)-3-[3-[[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]amino]propylimino]-1-phenylbut-1-en-1-olate is sourced from PubChem (CID 139063959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).