[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone

C25H20N2O3 — CID 58298849

IUPAC[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
SMILESNc1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C25H20N2O3/c26-19-5-1-17(2-6-19)25(28)18-3-9-21(10-4-18)29-23-13-15-24(16-14-23)30-22-11-7-20(27)8-12-22/h1-16H,26-27H2
InChIKeyGYYBNHXTXUVSFX-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.67
Rot. Bonds6

About [4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone

[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone (PubChem CID 58298849) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is [4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone.

Molecular Properties

Compound Name[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
PubChem CID58298849
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
SMILESNc1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C25H20N2O3/c26-19-5-1-17(2-6-19)25(28)18-3-9-21(10-4-18)29-23-13-15-24(16-14-23)30-22-11-7-20(27)8-12-22/h1-16H,26-27H2
InChIKeyGYYBNHXTXUVSFX-UHFFFAOYSA-N
XLogP5.67
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;bis(4-aminophenyl)methanone
CID 175338942
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
CID 70183152
4-(4-aminophenoxy)aniline
CID 161415647
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
4-(4-aminophenoxy)-N-methylbenzamide
CID 131636828
[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
CID 102447265
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone
CID 118474101
[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate;4-(4-aminophenoxy)aniline;4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline
CID 167612006
(4-aminophenyl)-phenylmethanone
CID 14346
2-[2-[2-(2-aminophenoxy)phenyl]sulfanylphenoxy]aniline;bis[4-(4-aminophenoxy)phenyl]methanone
CID 162088746

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone?
The IUPAC name of [4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone (CID 58298849) is [4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone.
What is the SMILES notation for [4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone?
The canonical SMILES for [4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone is Nc1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone?
The InChIKey is GYYBNHXTXUVSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c26-19-5-1-17(2-6-19)25(28)18-3-9-21(10-4-18)29-23-13-15-24(16-14-23)30-22-11-7-20(27)8-12-22/h1-16H,26-27H2.
What are the key properties of [4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone?
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone has a molecular weight of 396.45 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone is sourced from PubChem (CID 58298849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).