4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline

C30H37FN4 — CID 164842926

IUPAC4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline
SMILESCCCCCCCCCc1ccc(/N=C/c2ccc(/N=N/c3ccc(N(C)C)cc3)c(F)c2)cc1
InChIInChI=1S/C30H37FN4/c1-4-5-6-7-8-9-10-11-24-12-15-26(16-13-24)32-23-25-14-21-30(29(31)22-25)34-33-27-17-19-28(20-18-27)35(2)3/h12-23H,4-11H2,1-3H3/b32-23+,34-33+
InChIKeyYZZYABJXHFARSE-SCUPENOCSA-N
MW472.65 g/mol
LogP9.35
Rot. Bonds13

About 4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline

4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline (PubChem CID 164842926) has the molecular formula C30H37FN4 and a molecular weight of 472.65 g/mol. Its IUPAC name is 4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline
PubChem CID164842926
Molecular FormulaC30H37FN4
Molecular Weight472.65 g/mol
Exact Mass472.30
IUPAC Name4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline
SMILESCCCCCCCCCc1ccc(/N=C/c2ccc(/N=N/c3ccc(N(C)C)cc3)c(F)c2)cc1
InChIInChI=1S/C30H37FN4/c1-4-5-6-7-8-9-10-11-24-12-15-26(16-13-24)32-23-25-14-21-30(29(31)22-25)34-33-27-17-19-28(20-18-27)35(2)3/h12-23H,4-11H2,1-3H3/b32-23+,34-33+
InChIKeyYZZYABJXHFARSE-SCUPENOCSA-N
XLogP9.35
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.65
LogP ≤ 59.35
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': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[2-fluoro-4-[(E)-2-(4-octoxyphenyl)ethenyl]phenyl]diazenyl]-N,N-dimethylaniline
CID 164842946
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
4-heptyl-N,N-dimethylaniline
CID 20777180
2-[4-[[3-fluoro-4-[[4-[(4-hexylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl prop-2-enoate
CID 164843020
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
bis(4-decylphenyl)diazene
CID 71359462
(4-fluorophenyl)-(4-octylphenyl)diazene
CID 172555601
heptyl 4-[[4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-3-fluorophenyl]diazenyl]benzoate
CID 164843023
N-(4-butylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126080192
4-[(4-decylphenyl)iminomethyl]benzonitrile
CID 21396735
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline (CID 164842926) is 4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline is CCCCCCCCCc1ccc(/N=C/c2ccc(/N=N/c3ccc(N(C)C)cc3)c(F)c2)cc1.
What is the InChIKey of 4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline?
The InChIKey is YZZYABJXHFARSE-SCUPENOCSA-N. The full InChI is InChI=1S/C30H37FN4/c1-4-5-6-7-8-9-10-11-24-12-15-26(16-13-24)32-23-25-14-21-30(29(31)22-25)34-33-27-17-19-28(20-18-27)35(2)3/h12-23H,4-11H2,1-3H3/b32-23+,34-33+.
What are the key properties of 4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline?
4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline has a molecular weight of 472.65 g/mol, XLogP of 9.35, 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-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 164842926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).