(4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene

C21H26BrFN2 — CID 146454483

IUPAC(4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene
SMILESCCCCC(CC)CCc1ccc(/N=N/c2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C21H26BrFN2/c1-3-5-6-16(4-2)7-8-17-9-14-21(20(23)15-17)25-24-19-12-10-18(22)11-13-19/h9-16H,3-8H2,1-2H3/b25-24+
InChIKeyCDAHEHCWCDDPAW-OCOZRVBESA-N
MW405.36 g/mol
LogP8.15
Rot. Bonds9

About (4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene

(4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene (PubChem CID 146454483) has the molecular formula C21H26BrFN2 and a molecular weight of 405.36 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene
PubChem CID146454483
Molecular FormulaC21H26BrFN2
Molecular Weight405.36 g/mol
Exact Mass404.13
IUPAC Name(4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene
SMILESCCCCC(CC)CCc1ccc(/N=N/c2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C21H26BrFN2/c1-3-5-6-16(4-2)7-8-17-9-14-21(20(23)15-17)25-24-19-12-10-18(22)11-13-19/h9-16H,3-8H2,1-2H3/b25-24+
InChIKeyCDAHEHCWCDDPAW-OCOZRVBESA-N
XLogP8.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.36
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-ethylheptyl)-2-fluorophenyl]-[5-[7-[5-[[4-(3-ethylheptyl)phenyl]diazenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]diazene
CID 146534068
2,6-bis(3-ethylheptyl)naphthalene
CID 91473805
1-bromo-4-[2-(bromomethyl)hexyl]benzene
CID 66040689
4,9-bis[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 167359500
2-[(4-bromophenyl)methyl]hexan-1-ol
CID 66059467
4-bromo-2-fluoro-1-nonan-5-ylbenzene
CID 178088907
4-[[2-fluoro-4-[(4-nonylphenyl)iminomethyl]phenyl]diazenyl]-N,N-dimethylaniline
CID 164842926
[1-(3,4-difluorophenyl)-4-ethyloctan-2-yl]hydrazine
CID 105288434
[1-(4-bromo-2-fluorophenyl)-3-ethylheptyl]hydrazine
CID 105280875
1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
CID 114894944
N,N-dibutyl-4-[7-[2-[4-(3-ethylheptyl)-2-fluorophenyl]thieno[3,2-b]thiophen-5-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]aniline
CID 167359307
2-[6-(2-aminoethyl)-9-(2-ethylhexyl)carbazol-3-yl]ethanamine
CID 170887976

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene?
The IUPAC name of (4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene (CID 146454483) is (4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene.
What is the SMILES notation for (4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene?
The canonical SMILES for (4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene is CCCCC(CC)CCc1ccc(/N=N/c2ccc(Br)cc2)c(F)c1.
What is the InChIKey of (4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene?
The InChIKey is CDAHEHCWCDDPAW-OCOZRVBESA-N. The full InChI is InChI=1S/C21H26BrFN2/c1-3-5-6-16(4-2)7-8-17-9-14-21(20(23)15-17)25-24-19-12-10-18(22)11-13-19/h9-16H,3-8H2,1-2H3/b25-24+.
What are the key properties of (4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene?
(4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene has a molecular weight of 405.36 g/mol, XLogP of 8.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene is sourced from PubChem (CID 146454483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).