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

C25H28N4O — CID 21348957

IUPAC(4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene
SMILESCCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(OCCC)cc3)cc2)cc1
InChIInChI=1S/C25H28N4O/c1-3-5-6-20-7-9-21(10-8-20)26-27-22-11-13-23(14-12-22)28-29-24-15-17-25(18-16-24)30-19-4-2/h7-18H,3-6,19H2,1-2H3/b27-26+,29-28+
InChIKeyZUGKFNYCFBDWIO-ZDXBJJIESA-N
MW400.53 g/mol
LogP8.65
Rot. Bonds10

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

(4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene (PubChem CID 21348957) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene.

Molecular Properties

Compound Name(4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene
PubChem CID21348957
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene
SMILESCCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(OCCC)cc3)cc2)cc1
InChIInChI=1S/C25H28N4O/c1-3-5-6-20-7-9-21(10-8-20)26-27-22-11-13-23(14-12-22)28-29-24-15-17-25(18-16-24)30-19-4-2/h7-18H,3-6,19H2,1-2H3/b27-26+,29-28+
InChIKeyZUGKFNYCFBDWIO-ZDXBJJIESA-N
XLogP8.65
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene?
The IUPAC name of (4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene (CID 21348957) is (4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene.
What is the SMILES notation for (4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene?
The canonical SMILES for (4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene is CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(OCCC)cc3)cc2)cc1.
What is the InChIKey of (4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene?
The InChIKey is ZUGKFNYCFBDWIO-ZDXBJJIESA-N. The full InChI is InChI=1S/C25H28N4O/c1-3-5-6-20-7-9-21(10-8-20)26-27-22-11-13-23(14-12-22)28-29-24-15-17-25(18-16-24)30-19-4-2/h7-18H,3-6,19H2,1-2H3/b27-26+,29-28+.
What are the key properties of (4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene?
(4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene has a molecular weight of 400.53 g/mol, XLogP of 8.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-[4-[(4-propoxyphenyl)diazenyl]phenyl]diazene is sourced from PubChem (CID 21348957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).