4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline

C32H32N2O3 — CID 154936794

IUPAC4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc(OCCOCCOc3ccc(/C=C/c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H32N2O3/c33-29-13-5-25(6-14-29)1-3-27-9-17-31(18-10-27)36-23-21-35-22-24-37-32-19-11-28(12-20-32)4-2-26-7-15-30(34)16-8-26/h1-20H,21-24,33-34H2/b3-1+,4-2+
InChIKeyQAQUMLIKSUFKSL-ZPUQHVIOSA-N
MW492.62 g/mol
LogP6.67
Rot. Bonds12

About 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline

4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline (PubChem CID 154936794) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
PubChem CID154936794
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Name4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc(OCCOCCOc3ccc(/C=C/c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H32N2O3/c33-29-13-5-25(6-14-29)1-3-27-9-17-31(18-10-27)36-23-21-35-22-24-37-32-19-11-28(12-20-32)4-2-26-7-15-30(34)16-8-26/h1-20H,21-24,33-34H2/b3-1+,4-2+
InChIKeyQAQUMLIKSUFKSL-ZPUQHVIOSA-N
XLogP6.67
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline
CID 155928980
4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine
CID 102398908
6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol
CID 166905123
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
CID 69438444
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[2-(3-methylbutoxy)ethoxy]aniline
CID 43366007
4-(2-pentoxyethoxy)aniline
CID 43274923
4-(2-heptoxyethoxy)aniline
CID 43366149

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline?
The IUPAC name of 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline (CID 154936794) is 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline is Nc1ccc(/C=C/c2ccc(OCCOCCOc3ccc(/C=C/c4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline?
The InChIKey is QAQUMLIKSUFKSL-ZPUQHVIOSA-N. The full InChI is InChI=1S/C32H32N2O3/c33-29-13-5-25(6-14-29)1-3-27-9-17-31(18-10-27)36-23-21-35-22-24-37-32-19-11-28(12-20-32)4-2-26-7-15-30(34)16-8-26/h1-20H,21-24,33-34H2/b3-1+,4-2+.
What are the key properties of 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline?
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline has a molecular weight of 492.62 g/mol, XLogP of 6.67, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline is sourced from PubChem (CID 154936794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).