ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium

C22H19N3O7U-6 — CID 139170496

IUPACethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium
SMILESCCO.O=[N+]([O-])c1ccc(/N=C/c2ccccc2[O-])c(/N=C/c2ccccc2[O-])c1.[O-2].[O-2].[U]
InChIInChI=1S/C20H15N3O4.C2H6O.2O.U/c24-19-7-3-1-5-14(19)12-21-17-10-9-16(23(26)27)11-18(17)22-13-15-6-2-4-8-20(15)25;1-2-3;;;/h1-13,24-25H;3H,2H2,1H3;;;/q;;2*-2;/p-2/b21-12+,22-13+;;;;
InChIKeyZUKYKVMTZKKRIS-ULRYCSGOSA-L
MW675.44 g/mol
LogP3.00
Rot. Bonds5

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

ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium (PubChem CID 139170496) has the molecular formula C22H19N3O7U-6 and a molecular weight of 675.44 g/mol. Its IUPAC name is ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium.

Molecular Properties

Compound Nameethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium
PubChem CID139170496
Molecular FormulaC22H19N3O7U-6
Molecular Weight675.44 g/mol
Exact Mass675.18
IUPAC Nameethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium
SMILESCCO.O=[N+]([O-])c1ccc(/N=C/c2ccccc2[O-])c(/N=C/c2ccccc2[O-])c1.[O-2].[O-2].[U]
InChIInChI=1S/C20H15N3O4.C2H6O.2O.U/c24-19-7-3-1-5-14(19)12-21-17-10-9-16(23(26)27)11-18(17)22-13-15-6-2-4-8-20(15)25;1-2-3;;;/h1-13,24-25H;3H,2H2,1H3;;;/q;;2*-2;/p-2/b21-12+,22-13+;;;;
InChIKeyZUKYKVMTZKKRIS-ULRYCSGOSA-L
XLogP3.00
TPSA191.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

zinc;2,4-ditert-butyl-6-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;ethanol
CID 139203412
zinc bis(2-[(3-nitrophenyl)iminomethyl]phenolate)
CID 139056549
2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
CID 136877308
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
2,4-ditert-butyl-6-[[2-[(2-hydroxyphenyl)methylideneamino]-4-nitrophenyl]iminomethyl]phenol
CID 139203413
4-nitro-2-[[2-[2-[2-[2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenolate
CID 7072618
2-[(2-chloro-4-methylphenyl)iminomethyl]-4-nitrophenolate
CID 7605931
nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 101450590

Frequently Asked Questions

What is the IUPAC name of ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium?
The IUPAC name of ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium (CID 139170496) is ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium.
What is the SMILES notation for ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium?
The canonical SMILES for ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium is CCO.O=[N+]([O-])c1ccc(/N=C/c2ccccc2[O-])c(/N=C/c2ccccc2[O-])c1.[O-2].[O-2].[U].
What is the InChIKey of ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium?
The InChIKey is ZUKYKVMTZKKRIS-ULRYCSGOSA-L. The full InChI is InChI=1S/C20H15N3O4.C2H6O.2O.U/c24-19-7-3-1-5-14(19)12-21-17-10-9-16(23(26)27)11-18(17)22-13-15-6-2-4-8-20(15)25;1-2-3;;;/h1-13,24-25H;3H,2H2,1H3;;;/q;;2*-2;/p-2/b21-12+,22-13+;;;;.
What are the key properties of ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium?
ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium has a molecular weight of 675.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium is sourced from PubChem (CID 139170496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).