N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide

C24H19NO3 — CID 163966965

IUPACN-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide
SMILES[O-][NH+](Oc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H19NO3/c26-25(21-7-3-1-4-8-21)28-24-17-13-20(14-18-24)19-11-15-23(16-12-19)27-22-9-5-2-6-10-22/h1-18,25H
InChIKeySMPXEBKBYLWEGT-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.15
Rot. Bonds6

About N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide

N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide (PubChem CID 163966965) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide.

Molecular Properties

Compound NameN-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide
PubChem CID163966965
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC NameN-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide
SMILES[O-][NH+](Oc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H19NO3/c26-25(21-7-3-1-4-8-21)28-24-17-13-20(14-18-24)19-11-15-23(16-12-19)27-22-9-5-2-6-10-22/h1-18,25H
InChIKeySMPXEBKBYLWEGT-UHFFFAOYSA-N
XLogP5.15
TPSA45.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenoxyphenyl)-diphenylazanium
CID 163615593
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
oxophosphanium;phenoxybenzene
CID 161329594
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide
CID 163631009
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide?
The IUPAC name of N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide (CID 163966965) is N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide.
What is the SMILES notation for N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide?
The canonical SMILES for N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide is [O-][NH+](Oc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide?
The InChIKey is SMPXEBKBYLWEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c26-25(21-7-3-1-4-8-21)28-24-17-13-20(14-18-24)19-11-15-23(16-12-19)27-22-9-5-2-6-10-22/h1-18,25H.
What are the key properties of N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide?
N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide has a molecular weight of 369.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide is sourced from PubChem (CID 163966965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).