(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+)

C52H44N2NiO2+2 — CID 135480457

IUPAC(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+)
SMILESO/C(=C\C(Cc1cccc2ccccc12)=N/CC/N=C(\C=C(/O)Cc1cccc2ccccc12)Cc1cccc2ccccc12)Cc1cccc2ccccc12.[Ni+2]
InChIInChI=1S/C52H44N2O2.Ni/c55-47(33-43-23-11-19-39-15-3-7-27-51(39)43)35-45(31-41-21-9-17-37-13-1-5-25-49(37)41)53-29-30-54-46(32-42-22-10-18-38-14-2-6-26-50(38)42)36-48(56)34-44-24-12-20-40-16-4-8-28-52(40)44;/h1-28,35-36,55-56H,29-34H2;/q;+2/b47-35-,48-36-,53-45-,54-46-;
InChIKeyGHRXAQUEILVCTM-BANSHQCASA-N
MW787.63 g/mol
LogP12.33
Rot. Bonds13

About (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+)

(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+) (PubChem CID 135480457) has the molecular formula C52H44N2NiO2+2 and a molecular weight of 787.63 g/mol. Its IUPAC name is (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+).

Molecular Properties

Compound Name(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+)
PubChem CID135480457
Molecular FormulaC52H44N2NiO2+2
Molecular Weight787.63 g/mol
Exact Mass786.27
IUPAC Name(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+)
SMILESO/C(=C\C(Cc1cccc2ccccc12)=N/CC/N=C(\C=C(/O)Cc1cccc2ccccc12)Cc1cccc2ccccc12)Cc1cccc2ccccc12.[Ni+2]
InChIInChI=1S/C52H44N2O2.Ni/c55-47(33-43-23-11-19-39-15-3-7-27-51(39)43)35-45(31-41-21-9-17-37-13-1-5-25-49(37)41)53-29-30-54-46(32-42-22-10-18-38-14-2-6-26-50(38)42)36-48(56)34-44-24-12-20-40-16-4-8-28-52(40)44;/h1-28,35-36,55-56H,29-34H2;/q;+2/b47-35-,48-36-,53-45-,54-46-;
InChIKeyGHRXAQUEILVCTM-BANSHQCASA-N
XLogP12.33
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.63
LogP ≤ 512.33
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-dinaphthalen-1-ylpent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-ol;nickel(2+) with MolForge

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Related Compounds

N,N'-Ethylenebis[1,5-di-(1-naphthyl)-2,5-pentanedioneiminato]-nickel(II)
CID 139195276
1-[(2S)-2-[(2-hydroxy-4H-naphthalen-1-ylidene)amino]-3-naphthalen-1-ylpropyl]imino-4H-naphthalen-2-ol
CID 68656100
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
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-3-[2-[[2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5,5-dimethyl-3-oxocyclohexylidene]amino]propylimino]-5,5-dimethylcyclohexan-1-one
CID 135526155
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-3-[6-[[2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5,5-dimethyl-3-oxocyclohexylidene]amino]hexylimino]-5,5-dimethylcyclohexan-1-one
CID 135526158
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-3-[2-[[2-(1-hydroxy-2-naphthalen-1-ylethylidene)-3-oxocyclohexylidene]amino]propylimino]cyclohexan-1-one
CID 135526227
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-3-[6-[[2-(1-hydroxy-2-naphthalen-1-ylethylidene)-3-oxocyclohexylidene]amino]hexylimino]cyclohexan-1-one
CID 135526230
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one
CID 135526298
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-3-[2-[[2-(1-hydroxy-2-naphthalen-1-ylethylidene)-3-oxo-5-phenylcyclohexylidene]amino]propylimino]-5-phenylcyclohexan-1-one
CID 135526300
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-3-[6-[[2-(1-hydroxy-2-naphthalen-1-ylethylidene)-3-oxo-5-phenylcyclohexylidene]amino]hexylimino]-5-phenylcyclohexan-1-one
CID 135526308
(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 (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+)?
The IUPAC name of (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) is (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+).
What is the SMILES notation for (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+)?
The canonical SMILES for (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+) is O/C(=C\C(Cc1cccc2ccccc12)=N/CC/N=C(\C=C(/O)Cc1cccc2ccccc12)Cc1cccc2ccccc12)Cc1cccc2ccccc12.[Ni+2].
What is the InChIKey of (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+)?
The InChIKey is GHRXAQUEILVCTM-BANSHQCASA-N. The full InChI is InChI=1S/C52H44N2O2.Ni/c55-47(33-43-23-11-19-39-15-3-7-27-51(39)43)35-45(31-41-21-9-17-37-13-1-5-25-49(37)41)53-29-30-54-46(32-42-22-10-18-38-14-2-6-26-50(38)42)36-48(56)34-44-24-12-20-40-16-4-8-28-52(40)44;/h1-28,35-36,55-56H,29-34H2;/q;+2/b47-35-,48-36-,53-45-,54-46-;.
What are the key properties of (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+)?
(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+) has a molecular weight of 787.63 g/mol, XLogP of 12.33, 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-dinaphthalen-1-ylpent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-ol;nickel(2+) is sourced from PubChem (CID 135480457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).