4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline

C30H36FN3O — CID 164842946

IUPAC4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline
SMILESCCCCCCCCOc1ccc(/C=C/c2ccc(/N=N/c3ccc(N(C)C)cc3)c(F)c2)cc1
InChIInChI=1S/C30H36FN3O/c1-4-5-6-7-8-9-22-35-28-19-12-24(13-20-28)10-11-25-14-21-30(29(31)23-25)33-32-26-15-17-27(18-16-26)34(2)3/h10-21,23H,4-9,22H2,1-3H3/b11-10+,33-32+
InChIKeyNHADYADPRCRLNW-WSFSBACGSA-N
MW473.64 g/mol
LogP9.22
Rot. Bonds13

About 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline

4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline (PubChem CID 164842946) has the molecular formula C30H36FN3O and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline
PubChem CID164842946
Molecular FormulaC30H36FN3O
Molecular Weight473.64 g/mol
Exact Mass473.28
IUPAC Name4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline
SMILESCCCCCCCCOc1ccc(/C=C/c2ccc(/N=N/c3ccc(N(C)C)cc3)c(F)c2)cc1
InChIInChI=1S/C30H36FN3O/c1-4-5-6-7-8-9-22-35-28-19-12-24(13-20-28)10-11-25-14-21-30(29(31)23-25)33-32-26-15-17-27(18-16-26)34(2)3/h10-21,23H,4-9,22H2,1-3H3/b11-10+,33-32+
InChIKeyNHADYADPRCRLNW-WSFSBACGSA-N
XLogP9.22
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline 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-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline
CID 164842926
4-[(E)-2-[6-[(E)-2-(4-hexoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-N,N-dimethylaniline
CID 42644262
heptyl 4-[[4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-3-fluorophenyl]diazenyl]benzoate
CID 164843023
4-hexoxy-N,N-dimethylaniline
CID 19782341
bis(4-heptoxyphenyl)diazene
CID 13087198
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
4-[(E)-2-(2,5-dibromothiophen-3-yl)ethenyl]-N,N-bis(4-octoxyphenyl)aniline
CID 101479951
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline (CID 164842946) is 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline is CCCCCCCCOc1ccc(/C=C/c2ccc(/N=N/c3ccc(N(C)C)cc3)c(F)c2)cc1.
What is the InChIKey of 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline?
The InChIKey is NHADYADPRCRLNW-WSFSBACGSA-N. The full InChI is InChI=1S/C30H36FN3O/c1-4-5-6-7-8-9-22-35-28-19-12-24(13-20-28)10-11-25-14-21-30(29(31)23-25)33-32-26-15-17-27(18-16-26)34(2)3/h10-21,23H,4-9,22H2,1-3H3/b11-10+,33-32+.
What are the key properties of 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline?
4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline has a molecular weight of 473.64 g/mol, XLogP of 9.22, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 164842946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).