tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))

C96H104N16O13U4-10 — CID 139184510

IUPACtetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))
SMILESCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].CN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].CN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].CN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[U+4].[U+4].[U].[U].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C19H23N3O2.4C5H5N.5O.4U/c4*1-22(12-10-20-14-16-6-2-4-8-18(16)23)13-11-21-15-17-7-3-5-9-19(17)24;4*1-2-4-6-5-3-1;;;;;;;;;/h4*2-9,14-15,23-24H,10-13H2,1H3;4*1-5H;;;;;;;;;/q;;;;;;;;5*-2;;;2*+4/p-8/b4*20-14+,21-15+;;;;;;;;;;;;;
InChIKeyWUISEQITFXICLR-KEXNCDKMSA-F
MW2642.10 g/mol
LogP8.95
Rot. Bonds32

About tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))

tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+)) (PubChem CID 139184510) has the molecular formula C96H104N16O13U4-10 and a molecular weight of 2642.10 g/mol. Its IUPAC name is tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+)).

Molecular Properties

Compound Nametetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))
PubChem CID139184510
Molecular FormulaC96H104N16O13U4-10
Molecular Weight2642.10 g/mol
Exact Mass2641.01
IUPAC Nametetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))
SMILESCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].CN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].CN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].CN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[U+4].[U+4].[U].[U].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C19H23N3O2.4C5H5N.5O.4U/c4*1-22(12-10-20-14-16-6-2-4-8-18(16)23)13-11-21-15-17-7-3-5-9-19(17)24;4*1-2-4-6-5-3-1;;;;;;;;;/h4*2-9,14-15,23-24H,10-13H2,1H3;4*1-5H;;;;;;;;;/q;;;;;;;;5*-2;;;2*+4/p-8/b4*20-14+,21-15+;;;;;;;;;;;;;
InChIKeyWUISEQITFXICLR-KEXNCDKMSA-F
XLogP8.95
TPSA490.38 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002642.10
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate
CID 139045128
bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate
CID 139045140
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium
CID 139052350
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide
CID 139052352
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);hexane;bis(iron(3+));tetrakis(oxygen(2-));octakis(pyridine);bis(uranium(4+))
CID 139052353
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide
CID 139052354
(4-Ethylpyridine)(N-salicylideneglycinato)copper(II) Tetramer
CID 139055536
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
Bis[mu-N'-(2-methyl-1-oxidopropanylidene)-2-oxidobenzohydrazidato]tetrapyridinetrinickel(II)
CID 139081978
Dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate
CID 139117844
Benzene;tetrakis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);tetrakis(1-oxidopyridin-1-ium);tetrakis(oxygen(2-));uranium
CID 139123341
Bis(2-[[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate);bis(manganese(2+));diperchlorate;trihydrate
CID 139125139

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))?
The IUPAC name of tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+)) (CID 139184510) is tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+)).
What is the SMILES notation for tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))?
The canonical SMILES for tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+)) is CN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].CN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].CN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].CN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[U+4].[U+4].[U].[U].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))?
The InChIKey is WUISEQITFXICLR-KEXNCDKMSA-F. The full InChI is InChI=1S/4C19H23N3O2.4C5H5N.5O.4U/c4*1-22(12-10-20-14-16-6-2-4-8-18(16)23)13-11-21-15-17-7-3-5-9-19(17)24;4*1-2-4-6-5-3-1;;;;;;;;;/h4*2-9,14-15,23-24H,10-13H2,1H3;4*1-5H;;;;;;;;;/q;;;;;;;;5*-2;;;2*+4/p-8/b4*20-14+,21-15+;;;;;;;;;;;;;.
What are the key properties of tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))?
tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+)) has a molecular weight of 2642.10 g/mol, XLogP of 8.95, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+)) is sourced from PubChem (CID 139184510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).