bis(4-heptoxyphenyl)diazene

C26H38N2O2 — CID 13087198

IUPACbis(4-heptoxyphenyl)diazene
SMILESCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCC)cc2)cc1
InChIInChI=1S/C26H38N2O2/c1-3-5-7-9-11-21-29-25-17-13-23(14-18-25)27-28-24-15-19-26(20-16-24)30-22-12-10-8-6-4-2/h13-20H,3-12,21-22H2,1-2H3/b28-27+
InChIKeyXLLAUDAUNSNBON-BYYHNAKLSA-N
MW410.60 g/mol
LogP8.80
Rot. Bonds16

About bis(4-heptoxyphenyl)diazene

bis(4-heptoxyphenyl)diazene (PubChem CID 13087198) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is bis(4-heptoxyphenyl)diazene.

Molecular Properties

Compound Namebis(4-heptoxyphenyl)diazene
PubChem CID13087198
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Namebis(4-heptoxyphenyl)diazene
SMILESCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCC)cc2)cc1
InChIInChI=1S/C26H38N2O2/c1-3-5-7-9-11-21-29-25-17-13-23(14-18-25)27-28-24-15-19-26(20-16-24)30-22-12-10-8-6-4-2/h13-20H,3-12,21-22H2,1-2H3/b28-27+
InChIKeyXLLAUDAUNSNBON-BYYHNAKLSA-N
XLogP8.80
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 58.80
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 bis(4-heptoxyphenyl)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-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-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
CID 136836012
CID 136836012
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,3-bis[4-[(4-decoxyphenyl)diazenyl]phenoxy]propan-2-ol
CID 101214976

Frequently Asked Questions

What is the IUPAC name of bis(4-heptoxyphenyl)diazene?
The IUPAC name of bis(4-heptoxyphenyl)diazene (CID 13087198) is bis(4-heptoxyphenyl)diazene.
What is the SMILES notation for bis(4-heptoxyphenyl)diazene?
The canonical SMILES for bis(4-heptoxyphenyl)diazene is CCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCC)cc2)cc1.
What is the InChIKey of bis(4-heptoxyphenyl)diazene?
The InChIKey is XLLAUDAUNSNBON-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-3-5-7-9-11-21-29-25-17-13-23(14-18-25)27-28-24-15-19-26(20-16-24)30-22-12-10-8-6-4-2/h13-20H,3-12,21-22H2,1-2H3/b28-27+.
What are the key properties of bis(4-heptoxyphenyl)diazene?
bis(4-heptoxyphenyl)diazene has a molecular weight of 410.60 g/mol, XLogP of 8.80, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-heptoxyphenyl)diazene is sourced from PubChem (CID 13087198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).