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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).