(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene

C36H34N4O2 — CID 139387262

IUPAC(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
SMILESCCCOc1ccc(/N=N/c2ccc(-c3ccc(-c4ccc(/N=N/c5ccc(OCCC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H34N4O2/c1-3-25-41-35-21-17-33(18-22-35)39-37-31-13-9-29(10-14-31)27-5-7-28(8-6-27)30-11-15-32(16-12-30)38-40-34-19-23-36(24-20-34)42-26-4-2/h5-24H,3-4,25-26H2,1-2H3/b39-37+,40-38+
InChIKeyGJJDXSZUENWPDH-HVMBLDELSA-N
MW554.69 g/mol
LogP11.43
Rot. Bonds12

About (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene

(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene (PubChem CID 139387262) has the molecular formula C36H34N4O2 and a molecular weight of 554.69 g/mol. Its IUPAC name is (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene.

Molecular Properties

Compound Name(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
PubChem CID139387262
Molecular FormulaC36H34N4O2
Molecular Weight554.69 g/mol
Exact Mass554.27
IUPAC Name(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
SMILESCCCOc1ccc(/N=N/c2ccc(-c3ccc(-c4ccc(/N=N/c5ccc(OCCC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H34N4O2/c1-3-25-41-35-21-17-33(18-22-35)39-37-31-13-9-29(10-14-31)27-5-7-28(8-6-27)30-11-15-32(16-12-30)38-40-34-19-23-36(24-20-34)42-26-4-2/h5-24H,3-4,25-26H2,1-2H3/b39-37+,40-38+
InChIKeyGJJDXSZUENWPDH-HVMBLDELSA-N
XLogP11.43
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]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

phenyl-[4-[[4-[8-[4-(4-propoxyphenyl)phenoxy]octoxy]phenyl]diazenyl]phenyl]diazene
CID 102419981
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
bis(4-heptoxyphenyl)diazene
CID 13087198
(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
CID 118469809
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
(4-heptylphenyl)-(4-propoxyphenyl)diazene
CID 86194744
4-[(4-butoxyphenyl)diazenyl]aniline
CID 3684446
[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
CID 101188432
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
(4-butoxyphenyl)-(4-ethynylphenyl)diazene
CID 101121251
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene?
The IUPAC name of (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene (CID 139387262) is (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene.
What is the SMILES notation for (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene?
The canonical SMILES for (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene is CCCOc1ccc(/N=N/c2ccc(-c3ccc(-c4ccc(/N=N/c5ccc(OCCC)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene?
The InChIKey is GJJDXSZUENWPDH-HVMBLDELSA-N. The full InChI is InChI=1S/C36H34N4O2/c1-3-25-41-35-21-17-33(18-22-35)39-37-31-13-9-29(10-14-31)27-5-7-28(8-6-27)30-11-15-32(16-12-30)38-40-34-19-23-36(24-20-34)42-26-4-2/h5-24H,3-4,25-26H2,1-2H3/b39-37+,40-38+.
What are the key properties of (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene?
(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene has a molecular weight of 554.69 g/mol, XLogP of 11.43, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene is sourced from PubChem (CID 139387262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).