2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium

C25H19N3O4U-6 — CID 139156365

IUPAC2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
SMILES[O-2].[O-2].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].[U].c1ccncc1
InChIInChI=1S/C20H16N2O2.C5H5N.2O.U/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;1-2-4-6-5-3-1;;;/h1-14,23-24H;1-5H;;;/q;;2*-2;/p-2/b21-13+,22-14+;;;;
InChIKeyOPMOUIWVTGLGEO-YSVHZKDNSA-L
MW663.47 g/mol
LogP4.18
Rot. Bonds4

About 2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium

2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium (PubChem CID 139156365) has the molecular formula C25H19N3O4U-6 and a molecular weight of 663.47 g/mol. Its IUPAC name is 2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium.

Molecular Properties

Compound Name2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
PubChem CID139156365
Molecular FormulaC25H19N3O4U-6
Molecular Weight663.47 g/mol
Exact Mass663.19
IUPAC Name2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
SMILES[O-2].[O-2].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].[U].c1ccncc1
InChIInChI=1S/C20H16N2O2.C5H5N.2O.U/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;1-2-4-6-5-3-1;;;/h1-14,23-24H;1-5H;;;/q;;2*-2;/p-2/b21-13+,22-14+;;;;
InChIKeyOPMOUIWVTGLGEO-YSVHZKDNSA-L
XLogP4.18
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500663.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine
CID 137302328
ZINC;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;quinoline
CID 139038761
dizinc;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dicyanate
CID 139041445
dizinc;2-[[(S)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;dicyanate
CID 139041446
2-[2-[2-[(2-Hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
CID 139052349
bis(nickel(2+));bis(2-[[2-[(E)-(2-oxidophenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenolate)
CID 139056067
Cobalt(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;bis(pyridine);tetraphenylboranuide
CID 139057499
[2,2'-{1,2-Phenylenebis(nitrilomethylylidyne)}diphenolato-kappa^4^O,N,N',O'](pyridine-kappaN)zinc(II)
CID 139072073
(Dicyanamido)[2-(2-pyridylmethyliminomethyl)phenolato]copper(II) monohydrate
CID 139074100
1385 MS4 [Co(salophen)(py)2]ClO4
CID 139076984
{2,2'-[Pyridine-3,4-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)
CID 139077636
Bis(4-aminopyridine){2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) nitrate
CID 139085988

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium?
The IUPAC name of 2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium (CID 139156365) is 2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium.
What is the SMILES notation for 2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium?
The canonical SMILES for 2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium is [O-2].[O-2].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].[U].c1ccncc1.
What is the InChIKey of 2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium?
The InChIKey is OPMOUIWVTGLGEO-YSVHZKDNSA-L. The full InChI is InChI=1S/C20H16N2O2.C5H5N.2O.U/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;1-2-4-6-5-3-1;;;/h1-14,23-24H;1-5H;;;/q;;2*-2;/p-2/b21-13+,22-14+;;;;.
What are the key properties of 2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium?
2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium has a molecular weight of 663.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium is sourced from PubChem (CID 139156365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).