(Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+)

C52H42N2NiO2 — CID 139195276

IUPAC(Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+)
SMILES[Ni+2].[O-]/C(=C\C(Cc1cccc2ccccc12)=N\CC/N=C(/C=C(\[O-])Cc1cccc2ccccc12)Cc1cccc2ccccc12)Cc1cccc2ccccc12
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/p-2/b47-35-,48-36-,53-45+,54-46+;
InChIKeyGHRXAQUEILVCTM-VDALPNCISA-L
MW785.61 g/mol
LogP9.94
Rot. Bonds13

About (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+)

(Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+) (PubChem CID 139195276) has the molecular formula C52H42N2NiO2 and a molecular weight of 785.61 g/mol. Its IUPAC name is (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+).

Molecular Properties

Compound Name(Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+)
PubChem CID139195276
Molecular FormulaC52H42N2NiO2
Molecular Weight785.61 g/mol
Exact Mass784.26
IUPAC Name(Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+)
SMILES[Ni+2].[O-]/C(=C\C(Cc1cccc2ccccc12)=N\CC/N=C(/C=C(\[O-])Cc1cccc2ccccc12)Cc1cccc2ccccc12)Cc1cccc2ccccc12
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/p-2/b47-35-,48-36-,53-45+,54-46+;
InChIKeyGHRXAQUEILVCTM-VDALPNCISA-L
XLogP9.94
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.61
LogP ≤ 59.94
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 (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;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
1-[(2S)-2-[(2-hydroxy-4H-naphthalen-1-ylidene)amino]-3-naphthalen-1-ylpropyl]imino-4H-naphthalen-2-ol
CID 68656100
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+)?
The IUPAC name of (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+) (CID 139195276) is (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+).
What is the SMILES notation for (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+)?
The canonical SMILES for (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+) is [Ni+2].[O-]/C(=C\C(Cc1cccc2ccccc12)=N\CC/N=C(/C=C(\[O-])Cc1cccc2ccccc12)Cc1cccc2ccccc12)Cc1cccc2ccccc12.
What is the InChIKey of (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+)?
The InChIKey is GHRXAQUEILVCTM-VDALPNCISA-L. 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/p-2/b47-35-,48-36-,53-45+,54-46+;.
What are the key properties of (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+)?
(Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+) has a molecular weight of 785.61 g/mol, XLogP of 9.94, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[[(Z)-1,5-dinaphthalen-1-yl-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-olate;nickel(2+) is sourced from PubChem (CID 139195276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).