N-octadecyl-4-phenyldiazenylaniline

C30H47N3 — CID 15787928

IUPACN-octadecyl-4-phenyldiazenylaniline
SMILESCCCCCCCCCCCCCCCCCCNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C30H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-31-28-23-25-30(26-24-28)33-32-29-21-18-17-19-22-29/h17-19,21-26,31H,2-16,20,27H2,1H3/b33-32+
InChIKeySBAYZFPGULDFNX-ULIFNZDWSA-N
MW449.73 g/mol
LogP10.78
Rot. Bonds20

About N-octadecyl-4-phenyldiazenylaniline

N-octadecyl-4-phenyldiazenylaniline (PubChem CID 15787928) has the molecular formula C30H47N3 and a molecular weight of 449.73 g/mol. Its IUPAC name is N-octadecyl-4-phenyldiazenylaniline.

Molecular Properties

Compound NameN-octadecyl-4-phenyldiazenylaniline
PubChem CID15787928
Molecular FormulaC30H47N3
Molecular Weight449.73 g/mol
Exact Mass449.38
IUPAC NameN-octadecyl-4-phenyldiazenylaniline
SMILESCCCCCCCCCCCCCCCCCCNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C30H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-31-28-23-25-30(26-24-28)33-32-29-21-18-17-19-22-29/h17-19,21-26,31H,2-16,20,27H2,1H3/b33-32+
InChIKeySBAYZFPGULDFNX-ULIFNZDWSA-N
XLogP10.78
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.73
LogP ≤ 510.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-nonadecylaniline
CID 54509054
4-[[4-(octadecylamino)phenyl]diazenyl]benzoic acid
CID 3321705
N-heptylaniline;hydrate
CID 174886464
4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile
CID 5051990
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
N-hexyl-4-phenoxyaniline
CID 28876890
N-heptyl-4-phenoxyaniline
CID 43129191
4-[(3,4-dinitrophenyl)diazenyl]-N-docosylaniline
CID 88517615
N-(12-dodecoxydodecyl)aniline
CID 54486065
4-fluoro-N-heptylaniline
CID 43129312

Frequently Asked Questions

What is the IUPAC name of N-octadecyl-4-phenyldiazenylaniline?
The IUPAC name of N-octadecyl-4-phenyldiazenylaniline (CID 15787928) is N-octadecyl-4-phenyldiazenylaniline.
What is the SMILES notation for N-octadecyl-4-phenyldiazenylaniline?
The canonical SMILES for N-octadecyl-4-phenyldiazenylaniline is CCCCCCCCCCCCCCCCCCNc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-octadecyl-4-phenyldiazenylaniline?
The InChIKey is SBAYZFPGULDFNX-ULIFNZDWSA-N. The full InChI is InChI=1S/C30H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-31-28-23-25-30(26-24-28)33-32-29-21-18-17-19-22-29/h17-19,21-26,31H,2-16,20,27H2,1H3/b33-32+.
What are the key properties of N-octadecyl-4-phenyldiazenylaniline?
N-octadecyl-4-phenyldiazenylaniline has a molecular weight of 449.73 g/mol, XLogP of 10.78, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecyl-4-phenyldiazenylaniline is sourced from PubChem (CID 15787928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).