phenyl-(4-undecoxyphenyl)diazene

C23H32N2O — CID 162717560

IUPACphenyl-(4-undecoxyphenyl)diazene
SMILESCCCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C23H32N2O/c1-2-3-4-5-6-7-8-9-13-20-26-23-18-16-22(17-19-23)25-24-21-14-11-10-12-15-21/h10-12,14-19H,2-9,13,20H2,1H3/b25-24+
InChIKeyNAWSWQZDPWNDDO-OCOZRVBESA-N
MW352.52 g/mol
LogP8.01
Rot. Bonds13

About phenyl-(4-undecoxyphenyl)diazene

phenyl-(4-undecoxyphenyl)diazene (PubChem CID 162717560) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is phenyl-(4-undecoxyphenyl)diazene.

Molecular Properties

Compound Namephenyl-(4-undecoxyphenyl)diazene
PubChem CID162717560
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Namephenyl-(4-undecoxyphenyl)diazene
SMILESCCCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C23H32N2O/c1-2-3-4-5-6-7-8-9-13-20-26-23-18-16-22(17-19-23)25-24-21-14-11-10-12-15-21/h10-12,14-19H,2-9,13,20H2,1H3/b25-24+
InChIKeyNAWSWQZDPWNDDO-OCOZRVBESA-N
XLogP8.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 58.01
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
phenyl-[4-[[4-[8-[4-(4-propoxyphenyl)phenoxy]octoxy]phenyl]diazenyl]phenyl]diazene
CID 102419981
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
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-[(4-hexadecoxyphenyl)diazenyl]phenyl] benzoate
CID 122206762
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-undecoxyphenyl)diazene?
The IUPAC name of phenyl-(4-undecoxyphenyl)diazene (CID 162717560) is phenyl-(4-undecoxyphenyl)diazene.
What is the SMILES notation for phenyl-(4-undecoxyphenyl)diazene?
The canonical SMILES for phenyl-(4-undecoxyphenyl)diazene is CCCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of phenyl-(4-undecoxyphenyl)diazene?
The InChIKey is NAWSWQZDPWNDDO-OCOZRVBESA-N. The full InChI is InChI=1S/C23H32N2O/c1-2-3-4-5-6-7-8-9-13-20-26-23-18-16-22(17-19-23)25-24-21-14-11-10-12-15-21/h10-12,14-19H,2-9,13,20H2,1H3/b25-24+.
What are the key properties of phenyl-(4-undecoxyphenyl)diazene?
phenyl-(4-undecoxyphenyl)diazene has a molecular weight of 352.52 g/mol, XLogP of 8.01, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-undecoxyphenyl)diazene is sourced from PubChem (CID 162717560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).