(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene

C23H25N3O — CID 118469809

IUPAC(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
SMILESCCCCCCOc1ccc(/N=N/c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H25N3O/c1-2-3-4-5-18-27-23-12-10-22(11-13-23)26-25-21-8-6-19(7-9-21)20-14-16-24-17-15-20/h6-17H,2-5,18H2,1H3/b26-25+
InChIKeyFDYATXAGWWOMRM-OCEACIFDSA-N
MW359.47 g/mol
LogP7.12
Rot. Bonds9

About (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene

(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene (PubChem CID 118469809) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene.

Molecular Properties

Compound Name(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
PubChem CID118469809
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
SMILESCCCCCCOc1ccc(/N=N/c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H25N3O/c1-2-3-4-5-18-27-23-12-10-22(11-13-23)26-25-21-8-6-19(7-9-21)20-14-16-24-17-15-20/h6-17H,2-5,18H2,1H3/b26-25+
InChIKeyFDYATXAGWWOMRM-OCEACIFDSA-N
XLogP7.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 57.12
H-Bond Donors ≤ 50
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'}

Analyze (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene 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-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene
CID 86093178
bis(4-heptoxyphenyl)diazene
CID 13087198
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
(4-octoxyphenyl)-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)diazene
CID 101148826
2-(4-octoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 139201252
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
phenyl-[4-[[4-[8-[4-(4-propoxyphenyl)phenoxy]octoxy]phenyl]diazenyl]phenyl]diazene
CID 102419981

Frequently Asked Questions

What is the IUPAC name of (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene?
The IUPAC name of (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene (CID 118469809) is (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene.
What is the SMILES notation for (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene?
The canonical SMILES for (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene is CCCCCCOc1ccc(/N=N/c2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene?
The InChIKey is FDYATXAGWWOMRM-OCEACIFDSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-3-4-5-18-27-23-12-10-22(11-13-23)26-25-21-8-6-19(7-9-21)20-14-16-24-17-15-20/h6-17H,2-5,18H2,1H3/b26-25+.
What are the key properties of (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene?
(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene has a molecular weight of 359.47 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene is sourced from PubChem (CID 118469809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).