4-[(4-dodecylphenyl)diazenyl]aniline

C24H35N3 — CID 142720328

IUPAC4-[(4-dodecylphenyl)diazenyl]aniline
SMILESCCCCCCCCCCCCc1ccc(/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C24H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-17-23(18-14-21)26-27-24-19-15-22(25)16-20-24/h13-20H,2-12,25H2,1H3/b27-26+
InChIKeyZHYUANWZGLGBAZ-CYYJNZCTSA-N
MW365.57 g/mol
LogP8.15
Rot. Bonds13

About 4-[(4-dodecylphenyl)diazenyl]aniline

4-[(4-dodecylphenyl)diazenyl]aniline (PubChem CID 142720328) has the molecular formula C24H35N3 and a molecular weight of 365.57 g/mol. Its IUPAC name is 4-[(4-dodecylphenyl)diazenyl]aniline.

Molecular Properties

Compound Name4-[(4-dodecylphenyl)diazenyl]aniline
PubChem CID142720328
Molecular FormulaC24H35N3
Molecular Weight365.57 g/mol
Exact Mass365.28
IUPAC Name4-[(4-dodecylphenyl)diazenyl]aniline
SMILESCCCCCCCCCCCCc1ccc(/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C24H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-17-23(18-14-21)26-27-24-19-15-22(25)16-20-24/h13-20H,2-12,25H2,1H3/b27-26+
InChIKeyZHYUANWZGLGBAZ-CYYJNZCTSA-N
XLogP8.15
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.57
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-decylphenyl)diazene
CID 71359462
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-[(4-octadecylphenyl)methyl]aniline
CID 67687267
3-[4-[(4-decylphenyl)diazenyl]phenyl]propane-1-thiol
CID 101009194
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479
(4-fluorophenyl)-(4-octylphenyl)diazene
CID 172555601
4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339
buta-1,3-diene;ethane;4-octylaniline
CID 143848294
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
N'-amino-N-(4-hexylphenyl)iminomethanimidamide
CID 91313473

Frequently Asked Questions

What is the IUPAC name of 4-[(4-dodecylphenyl)diazenyl]aniline?
The IUPAC name of 4-[(4-dodecylphenyl)diazenyl]aniline (CID 142720328) is 4-[(4-dodecylphenyl)diazenyl]aniline.
What is the SMILES notation for 4-[(4-dodecylphenyl)diazenyl]aniline?
The canonical SMILES for 4-[(4-dodecylphenyl)diazenyl]aniline is CCCCCCCCCCCCc1ccc(/N=N/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-dodecylphenyl)diazenyl]aniline?
The InChIKey is ZHYUANWZGLGBAZ-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-17-23(18-14-21)26-27-24-19-15-22(25)16-20-24/h13-20H,2-12,25H2,1H3/b27-26+.
What are the key properties of 4-[(4-dodecylphenyl)diazenyl]aniline?
4-[(4-dodecylphenyl)diazenyl]aniline has a molecular weight of 365.57 g/mol, XLogP of 8.15, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-dodecylphenyl)diazenyl]aniline is sourced from PubChem (CID 142720328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).