tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine)

C98H114K4N10Np4O28-20 — CID 139158757

IUPACtetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine)
SMILESC1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[K+].[K+].[K+].[K+].[Np].[Np].[Np].[Np].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccc1/C=N\CC/N=C/c1ccccc1[O-].[O-]c1ccccc1C=NCC/N=C/c1ccccc1[O-].[O-]c1ccccc1C=NCC/N=C\c1ccccc1[O-].[O-]c1ccccc1C=NCC/N=C\c1ccccc1[O-].c1ccncc1.c1ccncc1
InChIInChI=1S/4C16H16N2O2.2C12H24O6.2C5H5N.4K.4Np.8O/c4*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-6-5-3-1;;;;;;;;;;;;;;;;/h4*1-8,11-12,19-20H,9-10H2;2*1-12H2;2*1-5H;;;;;;;;;;;;;;;;/q;;;;;;;;4*+1;;;;;8*-2/p-8/b17-11+,18-12?;2*17-11-,18-12?;17-11-,18-12+;;;;;;;;;;;;;;;;;;;;
InChIKeyXXNJYIIIKTVCJC-OWKMMXFXSA-F
MW2984.42 g/mol
LogP-5.08
Rot. Bonds20

About tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine)

tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine) (PubChem CID 139158757) has the molecular formula C98H114K4N10Np4O28-20 and a molecular weight of 2984.42 g/mol. Its IUPAC name is tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine).

Molecular Properties

Compound Nametetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine)
PubChem CID139158757
Molecular FormulaC98H114K4N10Np4O28-20
Molecular Weight2984.42 g/mol
Exact Mass2978.83
IUPAC Nametetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine)
SMILESC1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[K+].[K+].[K+].[K+].[Np].[Np].[Np].[Np].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccc1/C=N\CC/N=C/c1ccccc1[O-].[O-]c1ccccc1C=NCC/N=C/c1ccccc1[O-].[O-]c1ccccc1C=NCC/N=C\c1ccccc1[O-].[O-]c1ccccc1C=NCC/N=C\c1ccccc1[O-].c1ccncc1.c1ccncc1
InChIInChI=1S/4C16H16N2O2.2C12H24O6.2C5H5N.4K.4Np.8O/c4*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-6-5-3-1;;;;;;;;;;;;;;;;/h4*1-8,11-12,19-20H,9-10H2;2*1-12H2;2*1-5H;;;;;;;;;;;;;;;;/q;;;;;;;;4*+1;;;;;8*-2/p-8/b17-11+,18-12?;2*17-11-,18-12?;17-11-,18-12+;;;;;;;;;;;;;;;;;;;;
InChIKeyXXNJYIIIKTVCJC-OWKMMXFXSA-F
XLogP-5.08
TPSA647.90 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002984.42
LogP ≤ 5-5.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine) with MolForge

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Related Compounds

manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide
CID 139052351
bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate
CID 139080116
chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
CID 139067410
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
manganese(3+);bis(2-(2-morpholin-4-ylethyliminomethyl)phenolate);isothiocyanate;dihydrate
CID 139178755
bis(2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]phenolate);nickel(2+);pyridine
CID 139070495
oxolane;bis(2-(pyrrol-1-id-2-ylmethyliminomethyl)phenolate);titanium(4+)
CID 139107524
hexakis(manganese(3+));tetrakis(oxido(dioxo)vanadium);hexakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);diperchlorate;octahydrate
CID 139261434
1,4-dioxane;pyridine;toluene
CID 159427625

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine)?
The IUPAC name of 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) is tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine).
What is the SMILES notation for tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine)?
The canonical SMILES for tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine) is C1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[K+].[K+].[K+].[K+].[Np].[Np].[Np].[Np].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccc1/C=N\CC/N=C/c1ccccc1[O-].[O-]c1ccccc1C=NCC/N=C/c1ccccc1[O-].[O-]c1ccccc1C=NCC/N=C\c1ccccc1[O-].[O-]c1ccccc1C=NCC/N=C\c1ccccc1[O-].c1ccncc1.c1ccncc1.
What is the InChIKey of tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine)?
The InChIKey is XXNJYIIIKTVCJC-OWKMMXFXSA-F. The full InChI is InChI=1S/4C16H16N2O2.2C12H24O6.2C5H5N.4K.4Np.8O/c4*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-6-5-3-1;;;;;;;;;;;;;;;;/h4*1-8,11-12,19-20H,9-10H2;2*1-12H2;2*1-5H;;;;;;;;;;;;;;;;/q;;;;;;;;4*+1;;;;;8*-2/p-8/b17-11+,18-12?;2*17-11-,18-12?;17-11-,18-12+;;;;;;;;;;;;;;;;;;;;.
What are the key properties of tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine)?
tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine) has a molecular weight of 2984.42 g/mol, XLogP of -5.08, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);neptunium;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);octakis(oxygen(2-));bis(pyridine) is sourced from PubChem (CID 139158757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).