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

C36H36N2NiO2+2 — CID 135528170

IUPAC(Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+)
SMILESO/C(=C\C(Cc1ccccc1)=N/CC/N=C(\C=C(/O)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.[Ni+2]
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/b35-27-,36-28-,37-33-,38-34-;
InChIKeyQXOKHUQVGTUAPC-WSTLXRCVSA-N
MW587.39 g/mol
LogP7.72
Rot. Bonds13

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

(Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+) (PubChem CID 135528170) has the molecular formula C36H36N2NiO2+2 and a molecular weight of 587.39 g/mol. Its IUPAC name is (Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+).

Molecular Properties

Compound Name(Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+)
PubChem CID135528170
Molecular FormulaC36H36N2NiO2+2
Molecular Weight587.39 g/mol
Exact Mass586.21
IUPAC Name(Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+)
SMILESO/C(=C\C(Cc1ccccc1)=N/CC/N=C(\C=C(/O)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.[Ni+2]
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/b35-27-,36-28-,37-33-,38-34-;
InChIKeyQXOKHUQVGTUAPC-WSTLXRCVSA-N
XLogP7.72
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.39
LogP ≤ 57.72
H-Bond Donors ≤ 52
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 (Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+) with MolForge

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Related Compounds

N,N'-ethylenebis(1,5-diphenyl-2,5-pentanedioneiminato)nickel(II)
CID 139195272
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
Co(B-Et)2
CID 139203467
(2e,2'e)-2,2'-(Butane-1,4-diylbis(azanylylidene))bis(1,2-diphenylethanol)
CID 176730859
2-[2-[(2-Hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol
CID 101257287
6,7,20,21,34,35-Hexakis-phenyl-3,10,17,24,31,38-hexazaheptacyclo[38.2.2.212,15.226,29.04,9.018,23.032,37]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene-13,14,27,28,41,42-hexol
CID 102189468
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
(Z)-4-[2-[[(Z)-4-hydroxy-1,5-dinaphthalen-1-ylpent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-ol;nickel(2+)
CID 135480457
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

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+)?
The IUPAC name of (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) is (Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+).
What is the SMILES notation for (Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+)?
The canonical SMILES for (Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+) is O/C(=C\C(Cc1ccccc1)=N/CC/N=C(\C=C(/O)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.[Ni+2].
What is the InChIKey of (Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+)?
The InChIKey is QXOKHUQVGTUAPC-WSTLXRCVSA-N. 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/b35-27-,36-28-,37-33-,38-34-;.
What are the key properties of (Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+)?
(Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+) has a molecular weight of 587.39 g/mol, XLogP of 7.72, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[[(Z)-4-hydroxy-1,5-diphenylpent-3-en-2-ylidene]amino]ethylimino]-1,5-diphenylpent-2-en-2-ol;nickel(2+) is sourced from PubChem (CID 135528170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).