chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)

C34H30Cl6N4Ni2O4 — CID 139067410

IUPACchloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
SMILESClC(Cl)Cl.ClC(Cl)Cl.[Ni+2].[Ni+2].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
InChIInChI=1S/2C16H16N2O2.2CHCl3.2Ni/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*2-1(3)4;;/h2*1-8,11-12,19-20H,9-10H2;2*1H;;/q;;;;2*+2/p-4/b2*17-11+,18-12+;;;;
InChIKeyWESVDOSRHKOSIJ-IGKNZCCUSA-J
MW888.74 g/mol
LogP6.71
Rot. Bonds10

About chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)

chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate) (PubChem CID 139067410) has the molecular formula C34H30Cl6N4Ni2O4 and a molecular weight of 888.74 g/mol. Its IUPAC name is chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate).

Molecular Properties

Compound Namechloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
PubChem CID139067410
Molecular FormulaC34H30Cl6N4Ni2O4
Molecular Weight888.74 g/mol
Exact Mass883.91
IUPAC Namechloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
SMILESClC(Cl)Cl.ClC(Cl)Cl.[Ni+2].[Ni+2].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
InChIInChI=1S/2C16H16N2O2.2CHCl3.2Ni/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*2-1(3)4;;/h2*1-8,11-12,19-20H,9-10H2;2*1H;;/q;;;;2*+2/p-4/b2*17-11+,18-12+;;;;
InChIKeyWESVDOSRHKOSIJ-IGKNZCCUSA-J
XLogP6.71
TPSA141.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.74
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;isothiocyanate
CID 139074438
sodium 2-(propyliminomethyl)phenolate
CID 102119842
hexakis(manganese(3+));tetrakis(oxido(dioxo)vanadium);hexakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);diperchlorate;octahydrate
CID 139261434
bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate
CID 139080116
bis(N,N-dimethylformamide);bis(iron(3+));bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);dihydroxide
CID 139076139
trizinc;bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);diacetate
CID 139058151
tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine)
CID 139158757
2-(2-piperazin-4-ium-1-ylethyliminomethyl)phenolate
CID 152752867
2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide
CID 139052351
bis(2-hydroxybenzoate);manganese(2+);methanol;tetrakis(nickel(2+));tetrakis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)
CID 139142090

Frequently Asked Questions

What is the IUPAC name of chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)?
The IUPAC name of chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate) (CID 139067410) is chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate).
What is the SMILES notation for chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)?
The canonical SMILES for chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate) is ClC(Cl)Cl.ClC(Cl)Cl.[Ni+2].[Ni+2].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].
What is the InChIKey of chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)?
The InChIKey is WESVDOSRHKOSIJ-IGKNZCCUSA-J. The full InChI is InChI=1S/2C16H16N2O2.2CHCl3.2Ni/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*2-1(3)4;;/h2*1-8,11-12,19-20H,9-10H2;2*1H;;/q;;;;2*+2/p-4/b2*17-11+,18-12+;;;;.
What are the key properties of chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)?
chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate) has a molecular weight of 888.74 g/mol, XLogP of 6.71, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate) is sourced from PubChem (CID 139067410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).