bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium

C64H64FeN10O10U2-11 — CID 139052350

IUPACbis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium
SMILES[Fe+3].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[U].[U].c1ccncc1.c1ccncc1
InChIInChI=1S/2C27H30N4O3.2C5H5N.Fe.4O.2U/c2*32-25-10-4-1-7-22(25)19-28-13-16-31(17-14-29-20-23-8-2-5-11-26(23)33)18-15-30-21-24-9-3-6-12-27(24)34;2*1-2-4-6-5-3-1;;;;;;;/h2*1-12,19-21,32-34H,13-18H2;2*1-5H;;;;;;;/q;;;;+3;4*-2;;/p-6/b2*28-19+,29-20+,30-21+;;;;;;;;;
InChIKeyNQMUVUIWLMWDER-QETFNSFHSA-H
MW1665.18 g/mol
LogP5.42
Rot. Bonds24

About bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium

bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium (PubChem CID 139052350) has the molecular formula C64H64FeN10O10U2-11 and a molecular weight of 1665.18 g/mol. Its IUPAC name is bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium.

Molecular Properties

Compound Namebis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium
PubChem CID139052350
Molecular FormulaC64H64FeN10O10U2-11
Molecular Weight1665.18 g/mol
Exact Mass1664.52
IUPAC Namebis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium
SMILES[Fe+3].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[U].[U].c1ccncc1.c1ccncc1
InChIInChI=1S/2C27H30N4O3.2C5H5N.Fe.4O.2U/c2*32-25-10-4-1-7-22(25)19-28-13-16-31(17-14-29-20-23-8-2-5-11-26(23)33)18-15-30-21-24-9-3-6-12-27(24)34;2*1-2-4-6-5-3-1;;;;;;;/h2*1-12,19-21,32-34H,13-18H2;2*1-5H;;;;;;;/q;;;;+3;4*-2;;/p-6/b2*28-19+,29-20+,30-21+;;;;;;;;;
InChIKeyNQMUVUIWLMWDER-QETFNSFHSA-H
XLogP5.42
TPSA358.78 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001665.18
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[(2-Hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
CID 139052349
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
Cobalt(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;bis(pyridine);tetraphenylboranuide
CID 139057499
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
trans-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(nitro-kappaN)(pyridine-kappaN)cobalt(III)
CID 139088711
Oxolane;bis(2-(pyrrol-1-id-2-ylmethyliminomethyl)phenolate);titanium(4+)
CID 139107524
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-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)
CID 139148858
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

Frequently Asked Questions

What is the IUPAC name of bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium?
The IUPAC name of bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium (CID 139052350) is bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium.
What is the SMILES notation for bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium?
The canonical SMILES for bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium is [Fe+3].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[U].[U].c1ccncc1.c1ccncc1.
What is the InChIKey of bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium?
The InChIKey is NQMUVUIWLMWDER-QETFNSFHSA-H. The full InChI is InChI=1S/2C27H30N4O3.2C5H5N.Fe.4O.2U/c2*32-25-10-4-1-7-22(25)19-28-13-16-31(17-14-29-20-23-8-2-5-11-26(23)33)18-15-30-21-24-9-3-6-12-27(24)34;2*1-2-4-6-5-3-1;;;;;;;/h2*1-12,19-21,32-34H,13-18H2;2*1-5H;;;;;;;/q;;;;+3;4*-2;;/p-6/b2*28-19+,29-20+,30-21+;;;;;;;;;.
What are the key properties of bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium?
bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium has a molecular weight of 1665.18 g/mol, XLogP of 5.42, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium is sourced from PubChem (CID 139052350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).