(4-heptoxyphenyl)-pyridin-4-yldiazene

C18H23N3O — CID 132541807

IUPAC(4-heptoxyphenyl)-pyridin-4-yldiazene
SMILESCCCCCCCOc1ccc(/N=N/c2ccncc2)cc1
InChIInChI=1S/C18H23N3O/c1-2-3-4-5-6-15-22-18-9-7-16(8-10-18)20-21-17-11-13-19-14-12-17/h7-14H,2-6,15H2,1H3/b21-20+
InChIKeyRZVJJICPWXRDAZ-QZQOTICOSA-N
MW297.40 g/mol
LogP5.85
Rot. Bonds9

About (4-heptoxyphenyl)-pyridin-4-yldiazene

(4-heptoxyphenyl)-pyridin-4-yldiazene (PubChem CID 132541807) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (4-heptoxyphenyl)-pyridin-4-yldiazene.

Molecular Properties

Compound Name(4-heptoxyphenyl)-pyridin-4-yldiazene
PubChem CID132541807
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(4-heptoxyphenyl)-pyridin-4-yldiazene
SMILESCCCCCCCOc1ccc(/N=N/c2ccncc2)cc1
InChIInChI=1S/C18H23N3O/c1-2-3-4-5-6-15-22-18-9-7-16(8-10-18)20-21-17-11-13-19-14-12-17/h7-14H,2-6,15H2,1H3/b21-20+
InChIKeyRZVJJICPWXRDAZ-QZQOTICOSA-N
XLogP5.85
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.85
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'}

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Related Compounds

(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
CID 118469809
bis(4-heptoxyphenyl)diazene
CID 13087198
(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene
CID 86093178
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
4-pentoxypyridine
CID 23560340
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
CID 136836012
CID 136836012
(4-octoxyphenyl)-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)diazene
CID 101148826
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948

Frequently Asked Questions

What is the IUPAC name of (4-heptoxyphenyl)-pyridin-4-yldiazene?
The IUPAC name of (4-heptoxyphenyl)-pyridin-4-yldiazene (CID 132541807) is (4-heptoxyphenyl)-pyridin-4-yldiazene.
What is the SMILES notation for (4-heptoxyphenyl)-pyridin-4-yldiazene?
The canonical SMILES for (4-heptoxyphenyl)-pyridin-4-yldiazene is CCCCCCCOc1ccc(/N=N/c2ccncc2)cc1.
What is the InChIKey of (4-heptoxyphenyl)-pyridin-4-yldiazene?
The InChIKey is RZVJJICPWXRDAZ-QZQOTICOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-3-4-5-6-15-22-18-9-7-16(8-10-18)20-21-17-11-13-19-14-12-17/h7-14H,2-6,15H2,1H3/b21-20+.
What are the key properties of (4-heptoxyphenyl)-pyridin-4-yldiazene?
(4-heptoxyphenyl)-pyridin-4-yldiazene has a molecular weight of 297.40 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-heptoxyphenyl)-pyridin-4-yldiazene is sourced from PubChem (CID 132541807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).