4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline

C36H28N4O4 — CID 23389994

IUPAC4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline
SMILESNc1ccc(Oc2cccc(Oc3ccc(/N=N/c4ccc(Oc5cccc(Oc6ccc(N)cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C36H28N4O4/c37-25-7-15-29(16-8-25)41-33-3-1-5-35(23-33)43-31-19-11-27(12-20-31)39-40-28-13-21-32(22-14-28)44-36-6-2-4-34(24-36)42-30-17-9-26(38)10-18-30/h1-24H,37-38H2/b40-39+
InChIKeyWTGBDYOWWBYNRB-XQQUEIPISA-N
MW580.64 g/mol
LogP10.44
Rot. Bonds10

About 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline

4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline (PubChem CID 23389994) has the molecular formula C36H28N4O4 and a molecular weight of 580.64 g/mol. Its IUPAC name is 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline.

Molecular Properties

Compound Name4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline
PubChem CID23389994
Molecular FormulaC36H28N4O4
Molecular Weight580.64 g/mol
Exact Mass580.21
IUPAC Name4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline
SMILESNc1ccc(Oc2cccc(Oc3ccc(/N=N/c4ccc(Oc5cccc(Oc6ccc(N)cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C36H28N4O4/c37-25-7-15-29(16-8-25)41-33-3-1-5-35(23-33)43-31-19-11-27(12-20-31)39-40-28-13-21-32(22-14-28)44-36-6-2-4-34(24-36)42-30-17-9-26(38)10-18-30/h1-24H,37-38H2/b40-39+
InChIKeyWTGBDYOWWBYNRB-XQQUEIPISA-N
XLogP10.44
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.64
LogP ≤ 510.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline 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 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline?
The IUPAC name of 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline (CID 23389994) is 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline.
What is the SMILES notation for 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline?
The canonical SMILES for 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline is Nc1ccc(Oc2cccc(Oc3ccc(/N=N/c4ccc(Oc5cccc(Oc6ccc(N)cc6)c5)cc4)cc3)c2)cc1.
What is the InChIKey of 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline?
The InChIKey is WTGBDYOWWBYNRB-XQQUEIPISA-N. The full InChI is InChI=1S/C36H28N4O4/c37-25-7-15-29(16-8-25)41-33-3-1-5-35(23-33)43-31-19-11-27(12-20-31)39-40-28-13-21-32(22-14-28)44-36-6-2-4-34(24-36)42-30-17-9-26(38)10-18-30/h1-24H,37-38H2/b40-39+.
What are the key properties of 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline?
4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline has a molecular weight of 580.64 g/mol, XLogP of 10.44, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline is sourced from PubChem (CID 23389994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).