nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate

C36H34N2NiO2 — CID 139195272

IUPACnickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate
SMILES[Ni+2].[O-]/C(=C\C(Cc1ccccc1)=N\CC/N=C(/C=C(\[O-])Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C36H36N2O2.Ni/c39-35(25-31-17-9-3-10-18-31)27-33(23-29-13-5-1-6-14-29)37-21-22-38-34(24-30-15-7-2-8-16-30)28-36(40)26-32-19-11-4-12-20-32;/h1-20,27-28,39-40H,21-26H2;/q;+2/p-2/b35-27-,36-28-,37-33+,38-34+;
InChIKeyQXOKHUQVGTUAPC-UBIKWCKZSA-L
MW585.37 g/mol
LogP5.33
Rot. Bonds13

About nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate

nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate (PubChem CID 139195272) has the molecular formula C36H34N2NiO2 and a molecular weight of 585.37 g/mol. Its IUPAC name is nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate.

Molecular Properties

Compound Namenickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate
PubChem CID139195272
Molecular FormulaC36H34N2NiO2
Molecular Weight585.37 g/mol
Exact Mass584.20
IUPAC Namenickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate
SMILES[Ni+2].[O-]/C(=C\C(Cc1ccccc1)=N\CC/N=C(/C=C(\[O-])Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C36H36N2O2.Ni/c39-35(25-31-17-9-3-10-18-31)27-33(23-29-13-5-1-6-14-29)37-21-22-38-34(24-30-15-7-2-8-16-30)28-36(40)26-32-19-11-4-12-20-32;/h1-20,27-28,39-40H,21-26H2;/q;+2/p-2/b35-27-,36-28-,37-33+,38-34+;
InChIKeyQXOKHUQVGTUAPC-UBIKWCKZSA-L
XLogP5.33
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.37
LogP ≤ 55.33
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'}

Analyze nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate with MolForge

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

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Related Compounds

N,N'-ethylenebis(1,5-diphenyl-2,5-pentanedioneiminato)cobalt(II)
CID 139195273
N,N'-Ethylenebis(1,5-diphenyl-2,5-pentanedioneiminato)copper(II)
CID 139195274
N,N'-Ethylenebis[1,5-di-(1-naphthyl)-2,5-pentanedioneiminato]-nickel(II)
CID 139195276
Co(B-Et)2
CID 139203467
cobalt(2+);(Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol
CID 135426950
copper (Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol
CID 135501189
(Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+)
CID 135528170

Frequently Asked Questions

What is the IUPAC name of nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate?
The IUPAC name of nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate (CID 139195272) is nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate.
What is the SMILES notation for nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate?
The canonical SMILES for nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate is [Ni+2].[O-]/C(=C\C(Cc1ccccc1)=N\CC/N=C(/C=C(\[O-])Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate?
The InChIKey is QXOKHUQVGTUAPC-UBIKWCKZSA-L. The full InChI is InChI=1S/C36H36N2O2.Ni/c39-35(25-31-17-9-3-10-18-31)27-33(23-29-13-5-1-6-14-29)37-21-22-38-34(24-30-15-7-2-8-16-30)28-36(40)26-32-19-11-4-12-20-32;/h1-20,27-28,39-40H,21-26H2;/q;+2/p-2/b35-27-,36-28-,37-33+,38-34+;.
What are the key properties of nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate?
nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate has a molecular weight of 585.37 g/mol, XLogP of 5.33, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);(Z)-4-[2-[[(Z)-4-oxido-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-olate is sourced from PubChem (CID 139195272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).