2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium

C32H33N5O5U-6 — CID 139052349

IUPAC2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
SMILES[O-2].[O-2].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1O.[U].c1ccncc1
InChIInChI=1S/C27H30N4O3.C5H5N.2O.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;1-2-4-6-5-3-1;;;/h1-12,19-21,32-34H,13-18H2;1-5H;;;/q;;2*-2;/p-2/b28-19+,29-20+,30-21+;;;;
InChIKeySFFFPPMMBIYNLB-BMLPDQPLSA-L
MW805.68 g/mol
LogP3.34
Rot. Bonds12

About 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium

2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium (PubChem CID 139052349) has the molecular formula C32H33N5O5U-6 and a molecular weight of 805.68 g/mol. Its IUPAC name is 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium.

Molecular Properties

Compound Name2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
PubChem CID139052349
Molecular FormulaC32H33N5O5U-6
Molecular Weight805.68 g/mol
Exact Mass805.30
IUPAC Name2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
SMILES[O-2].[O-2].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1O.[U].c1ccncc1
InChIInChI=1S/C27H30N4O3.C5H5N.2O.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;1-2-4-6-5-3-1;;;/h1-12,19-21,32-34H,13-18H2;1-5H;;;/q;;2*-2;/p-2/b28-19+,29-20+,30-21+;;;;
InChIKeySFFFPPMMBIYNLB-BMLPDQPLSA-L
XLogP3.34
TPSA176.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500805.68
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium with MolForge

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Related Compounds

2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
Cobalt, ((alpha,alpha'-(ethylenedinitrilo)di-o-cresolato)(2-))(pyridine)-, stereoisomer
CID 498126
n,n-Bis(2-hydroxybenzyl)-2-picolylamine
CID 15301349
2-[[2-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15493502
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]-1,2-diphenylethyl]-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 11520037
Co(salen)(py)
CID 137224656
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium
CID 139052350
Cobalt(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;bis(pyridine);tetraphenylboranuide
CID 139057499
bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato-kappa^2^N,O]bis(pyridine-kappaN)nickel(II)
CID 139060428
Bis{2'-[1-(2-hydroxyphenyl)ethylidene]benzohydrazido}bis(pyridine-kappaN)zinc(II)
CID 139066729
Aqua(pyridine-kappaN)(N-salicylideneglycinato-kappa^3^N,O,O')copper(II)
CID 139068540
Bis[1,3-dihydroxy-2-hydroxymethyl-2-(salicylidimino)propane-kappa^3^N,O,O']nickel(II) pyridine solvate
CID 139070495

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium?
The IUPAC name of 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium (CID 139052349) is 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium.
What is the SMILES notation for 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium?
The canonical SMILES for 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium is [O-2].[O-2].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1O.[U].c1ccncc1.
What is the InChIKey of 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium?
The InChIKey is SFFFPPMMBIYNLB-BMLPDQPLSA-L. The full InChI is InChI=1S/C27H30N4O3.C5H5N.2O.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;1-2-4-6-5-3-1;;;/h1-12,19-21,32-34H,13-18H2;1-5H;;;/q;;2*-2;/p-2/b28-19+,29-20+,30-21+;;;;.
What are the key properties of 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium?
2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium has a molecular weight of 805.68 g/mol, XLogP of 3.34, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium is sourced from PubChem (CID 139052349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).