bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide

C69H69FeIN11O8U2 — CID 139052354

IUPACbis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide
SMILES[Fe+3].[I-].[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+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C27H30N4O3.3C5H5N.Fe.HI.2O.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;3*1-2-4-6-5-3-1;;;;;;/h2*1-12,19-21,32-34H,13-18H2;3*1-5H;;1H;;;;/q;;;;;+3;;2*-2;2*+4/p-7/b28-19+,29-20+,30-21+;28-19-,29-20+,30-21+;;;;;;;;;
InChIKeySLCMKJIZUAXQNF-APJRGXAYSA-G
MW1839.19 g/mol
LogP3.74
Rot. Bonds24

About bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide

bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide (PubChem CID 139052354) has the molecular formula C69H69FeIN11O8U2 and a molecular weight of 1839.19 g/mol. Its IUPAC name is bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide.

Molecular Properties

Compound Namebis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide
PubChem CID139052354
Molecular FormulaC69H69FeIN11O8U2
Molecular Weight1839.19 g/mol
Exact Mass1838.47
IUPAC Namebis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide
SMILES[Fe+3].[I-].[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+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C27H30N4O3.3C5H5N.Fe.HI.2O.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;3*1-2-4-6-5-3-1;;;;;;/h2*1-12,19-21,32-34H,13-18H2;3*1-5H;;1H;;;;/q;;;;;+3;;2*-2;2*+4/p-7/b28-19+,29-20+,30-21+;28-19-,29-20+,30-21+;;;;;;;;;
InChIKeySLCMKJIZUAXQNF-APJRGXAYSA-G
XLogP3.74
TPSA314.67 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001839.19
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

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
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
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
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
Tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))
CID 139184510
(mu-4,4'-bipyridine-N,N')bis(N,N'-ethylene-bis(salicylaldiminato))dizinc(II) methanol solvate
CID 139206902
Bis(2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenolate);bis(iron(4+));oxygen(2-);bis(tetraphenylboranuide)
CID 168333182
Dioxidanium;bis(dysprosium(3+));bis(4-fluoro-2-[[2-[(5-fluoro-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diiodide
CID 168342406

Frequently Asked Questions

What is the IUPAC name of bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide?
The IUPAC name of 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) is bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide.
What is the SMILES notation for bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide?
The canonical SMILES for bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide is [Fe+3].[I-].[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+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide?
The InChIKey is SLCMKJIZUAXQNF-APJRGXAYSA-G. The full InChI is InChI=1S/2C27H30N4O3.3C5H5N.Fe.HI.2O.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;3*1-2-4-6-5-3-1;;;;;;/h2*1-12,19-21,32-34H,13-18H2;3*1-5H;;1H;;;;/q;;;;;+3;;2*-2;2*+4/p-7/b28-19+,29-20+,30-21+;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+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide?
bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide has a molecular weight of 1839.19 g/mol, XLogP of 3.74, 24 rotatable bonds, 0 hydrogen bond donors, and 17 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+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide is sourced from PubChem (CID 139052354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).