(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene

C28H41ClN2O — CID 102454986

IUPAC(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
SMILESCCCCCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H41ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-32-28-22-20-27(21-23-28)31-30-26-18-16-25(29)17-19-26/h16-23H,2-15,24H2,1H3/b31-30+
InChIKeyVHVALBNIJZDTLK-NVQSTNCTSA-N
MW457.10 g/mol
LogP10.62
Rot. Bonds18

About (4-chlorophenyl)-(4-hexadecoxyphenyl)diazene

(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene (PubChem CID 102454986) has the molecular formula C28H41ClN2O and a molecular weight of 457.10 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-hexadecoxyphenyl)diazene.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
PubChem CID102454986
Molecular FormulaC28H41ClN2O
Molecular Weight457.10 g/mol
Exact Mass456.29
IUPAC Name(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
SMILESCCCCCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H41ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-32-28-22-20-27(21-23-28)31-30-26-18-16-25(29)17-19-26/h16-23H,2-15,24H2,1H3/b31-30+
InChIKeyVHVALBNIJZDTLK-NVQSTNCTSA-N
XLogP10.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.10
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol
CID 136799593
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
CID 136836012
CID 136836012
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
(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

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-hexadecoxyphenyl)diazene?
The IUPAC name of (4-chlorophenyl)-(4-hexadecoxyphenyl)diazene (CID 102454986) is (4-chlorophenyl)-(4-hexadecoxyphenyl)diazene.
What is the SMILES notation for (4-chlorophenyl)-(4-hexadecoxyphenyl)diazene?
The canonical SMILES for (4-chlorophenyl)-(4-hexadecoxyphenyl)diazene is CCCCCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-hexadecoxyphenyl)diazene?
The InChIKey is VHVALBNIJZDTLK-NVQSTNCTSA-N. The full InChI is InChI=1S/C28H41ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-32-28-22-20-27(21-23-28)31-30-26-18-16-25(29)17-19-26/h16-23H,2-15,24H2,1H3/b31-30+.
What are the key properties of (4-chlorophenyl)-(4-hexadecoxyphenyl)diazene?
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene has a molecular weight of 457.10 g/mol, XLogP of 10.62, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-hexadecoxyphenyl)diazene is sourced from PubChem (CID 102454986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).