4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile

C27H38N4 — CID 5051990

IUPAC4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile
SMILESCCCCCCCCCCCCCCNc1ccc(/N=N/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C27H38N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-29-25-18-20-27(21-19-25)31-30-26-16-14-24(23-28)15-17-26/h14-21,29H,2-13,22H2,1H3/b31-30+
InChIKeyJGUGOZUEGLPQKD-NVQSTNCTSA-N
MW418.63 g/mol
LogP9.09
Rot. Bonds16

About 4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile

4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile (PubChem CID 5051990) has the molecular formula C27H38N4 and a molecular weight of 418.63 g/mol. Its IUPAC name is 4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile
PubChem CID5051990
Molecular FormulaC27H38N4
Molecular Weight418.63 g/mol
Exact Mass418.31
IUPAC Name4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile
SMILESCCCCCCCCCCCCCCNc1ccc(/N=N/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C27H38N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-29-25-18-20-27(21-19-25)31-30-26-16-14-24(23-28)15-17-26/h14-21,29H,2-13,22H2,1H3/b31-30+
InChIKeyJGUGOZUEGLPQKD-NVQSTNCTSA-N
XLogP9.09
TPSA60.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(decylamino)benzonitrile
CID 23349332
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
4-[[4-(octadecylamino)phenyl]diazenyl]benzoic acid
CID 3321705
4-[[4-(hexylamino)phenyl]diazenyl]benzenesulfonic acid
CID 100963290
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
[4-[[4-(octadecylamino)phenyl]diazenyl]phenyl]arsonic acid
CID 3027213
4-[(3,4-dinitrophenyl)diazenyl]-N-docosylaniline
CID 88517615
2-[4-(nonylamino)phenyl]acetonitrile
CID 63491741
4-[2-(propylamino)ethylamino]benzonitrile
CID 62664287
4-(3-cyanopropylamino)benzonitrile
CID 28582716
4-fluoro-N-heptylaniline
CID 43129312
4-methyl-N-octylaniline
CID 11816856

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile?
The IUPAC name of 4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile (CID 5051990) is 4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile.
What is the SMILES notation for 4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile?
The canonical SMILES for 4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile is CCCCCCCCCCCCCCNc1ccc(/N=N/c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile?
The InChIKey is JGUGOZUEGLPQKD-NVQSTNCTSA-N. The full InChI is InChI=1S/C27H38N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-29-25-18-20-27(21-19-25)31-30-26-16-14-24(23-28)15-17-26/h14-21,29H,2-13,22H2,1H3/b31-30+.
What are the key properties of 4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile?
4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile has a molecular weight of 418.63 g/mol, XLogP of 9.09, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile is sourced from PubChem (CID 5051990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).