4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline

C28H28N4 — CID 134597339

IUPAC4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
SMILESNc1ccc(CCc2ccc(/N=N/c3ccc(CCc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H28N4/c29-25-13-5-21(6-14-25)1-3-23-9-17-27(18-10-23)31-32-28-19-11-24(12-20-28)4-2-22-7-15-26(30)16-8-22/h5-20H,1-4,29-30H2/b32-31+
InChIKeyDITWUOXYADIDPJ-QNEJGDQOSA-N
MW420.56 g/mol
LogP6.84
Rot. Bonds8

About 4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline

4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline (PubChem CID 134597339) has the molecular formula C28H28N4 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
PubChem CID134597339
Molecular FormulaC28H28N4
Molecular Weight420.56 g/mol
Exact Mass420.23
IUPAC Name4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
SMILESNc1ccc(CCc2ccc(/N=N/c3ccc(CCc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H28N4/c29-25-13-5-21(6-14-25)1-3-23-9-17-27(18-10-23)31-32-28-19-11-24(12-20-28)4-2-22-7-15-26(30)16-8-22/h5-20H,1-4,29-30H2/b32-31+
InChIKeyDITWUOXYADIDPJ-QNEJGDQOSA-N
XLogP6.84
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]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-[3-[4-(aminodiazenyl)phenyl]propyl]aniline
CID 122546962
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328
4-[[(4-aminophenyl)diazenyl]methyl]aniline
CID 129142079
4-[[4-(4-propylphenoxy)phenyl]diazenyl]aniline
CID 129086495
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
4-[2-(oxiran-2-yl)ethyl]aniline
CID 112718057
4-(2-trimethylsilylethyl)aniline
CID 68551367
4-[(3-ethylphenyl)diazenyl]aniline
CID 45095557
4-[[1-[6-[4-[(4-aminophenyl)diazenyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline
CID 58687256
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572
2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine
CID 101017326
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline?
The IUPAC name of 4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline (CID 134597339) is 4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline.
What is the SMILES notation for 4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline?
The canonical SMILES for 4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline is Nc1ccc(CCc2ccc(/N=N/c3ccc(CCc4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline?
The InChIKey is DITWUOXYADIDPJ-QNEJGDQOSA-N. The full InChI is InChI=1S/C28H28N4/c29-25-13-5-21(6-14-25)1-3-23-9-17-27(18-10-23)31-32-28-19-11-24(12-20-28)4-2-22-7-15-26(30)16-8-22/h5-20H,1-4,29-30H2/b32-31+.
What are the key properties of 4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline?
4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline has a molecular weight of 420.56 g/mol, XLogP of 6.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline is sourced from PubChem (CID 134597339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).