bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)

C40H28N4O4U — CID 139115041

IUPACbis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
SMILES[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].[O-]c1ccccc1C=Nc1ccccc1N=Cc1ccccc1[O-].[U+4]
InChIInChI=1S/2C20H16N2O2.U/c2*23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h2*1-14,23-24H;/q;;+4/p-4/b21-13+,22-14+;;
InChIKeyOWOJMFUKITTYFW-FDOBHKDXSA-J
MW866.72 g/mol
LogP6.67
Rot. Bonds8

About bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)

bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+) (PubChem CID 139115041) has the molecular formula C40H28N4O4U and a molecular weight of 866.72 g/mol. Its IUPAC name is bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+).

Molecular Properties

Compound Namebis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
PubChem CID139115041
Molecular FormulaC40H28N4O4U
Molecular Weight866.72 g/mol
Exact Mass866.26
IUPAC Namebis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
SMILES[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].[O-]c1ccccc1C=Nc1ccccc1N=Cc1ccccc1[O-].[U+4]
InChIInChI=1S/2C20H16N2O2.U/c2*23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h2*1-14,23-24H;/q;;+4/p-4/b21-13+,22-14+;;
InChIKeyOWOJMFUKITTYFW-FDOBHKDXSA-J
XLogP6.67
TPSA141.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.72
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
tetrakis(2,6-dimethylphenolate);bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(titanium(4+))
CID 139136922
2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 101450590
5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)
CID 23631665
2-[(2-oxidophenyl)iminomethyl]phenolate;platinum(2+);pyridin-4-ylmethanol
CID 10186083
methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
CID 139177480
2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343
copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
CID 139172748
4-fluoro-2-[[2-[(5-fluoro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;platinum(2+)
CID 86298558
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806

Frequently Asked Questions

What is the IUPAC name of bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)?
The IUPAC name of bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+) (CID 139115041) is bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+).
What is the SMILES notation for bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)?
The canonical SMILES for bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+) is [O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].[O-]c1ccccc1C=Nc1ccccc1N=Cc1ccccc1[O-].[U+4].
What is the InChIKey of bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)?
The InChIKey is OWOJMFUKITTYFW-FDOBHKDXSA-J. The full InChI is InChI=1S/2C20H16N2O2.U/c2*23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h2*1-14,23-24H;/q;;+4/p-4/b21-13+,22-14+;;.
What are the key properties of bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)?
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+) has a molecular weight of 866.72 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+) is sourced from PubChem (CID 139115041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).