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

C37H37IN6O3U — CID 139052351

IUPAC2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide
SMILES[I-].[O-]c1ccccc1/C=N\CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[U+4].c1ccncc1.c1ccncc1
InChIInChI=1S/C27H30N4O3.2C5H5N.HI.U/c32-25-10-4-1-7-22(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;;/h1-12,19-21,32-34H,13-18H2;2*1-5H;1H;/q;;;;+4/p-4/b28-19-,29-20+,30-21+;;;;
InChIKeyKFKFTURIBDVHFF-KRJRPDNASA-J
MW978.67 g/mol
LogP1.03
Rot. Bonds12

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

2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide (PubChem CID 139052351) has the molecular formula C37H37IN6O3U and a molecular weight of 978.67 g/mol. Its IUPAC name is 2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide.

Molecular Properties

Compound Name2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide
PubChem CID139052351
Molecular FormulaC37H37IN6O3U
Molecular Weight978.67 g/mol
Exact Mass978.25
IUPAC Name2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide
SMILES[I-].[O-]c1ccccc1/C=N\CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[U+4].c1ccncc1.c1ccncc1
InChIInChI=1S/C27H30N4O3.2C5H5N.HI.U/c32-25-10-4-1-7-22(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;;/h1-12,19-21,32-34H,13-18H2;2*1-5H;1H;/q;;;;+4/p-4/b28-19-,29-20+,30-21+;;;;
InChIKeyKFKFTURIBDVHFF-KRJRPDNASA-J
XLogP1.03
TPSA135.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500978.67
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate
CID 139080116
copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate
CID 139177156
chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
CID 139067410
sodium 2-(propyliminomethyl)phenolate
CID 102119842
bis(2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]phenolate);nickel(2+);pyridine
CID 139070495
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;isothiocyanate
CID 139074438
2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine
CID 69234303
cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate
CID 139071417
bis(N,N-dimethylformamide);bis(iron(3+));bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);dihydroxide
CID 139076139

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide?
The IUPAC name of 2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide (CID 139052351) is 2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide.
What is the SMILES notation for 2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide?
The canonical SMILES for 2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide is [I-].[O-]c1ccccc1/C=N\CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[U+4].c1ccncc1.c1ccncc1.
What is the InChIKey of 2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide?
The InChIKey is KFKFTURIBDVHFF-KRJRPDNASA-J. The full InChI is InChI=1S/C27H30N4O3.2C5H5N.HI.U/c32-25-10-4-1-7-22(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;;/h1-12,19-21,32-34H,13-18H2;2*1-5H;1H;/q;;;;+4/p-4/b28-19-,29-20+,30-21+;;;;.
What are the key properties of 2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide?
2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide has a molecular weight of 978.67 g/mol, XLogP of 1.03, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide is sourced from PubChem (CID 139052351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).