4-[(4-phenyldiazenylphenyl)diazenyl]phenol

C18H14N4O — CID 22623

IUPAC4-[(4-phenyldiazenylphenyl)diazenyl]phenol
SMILESOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14N4O/c23-18-12-10-17(11-13-18)22-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13,23H/b20-19+,22-21+
InChIKeyRTZYVAQWQXPIAC-DKHHWMATSA-N
MW302.34 g/mol
LogP6.22
Rot. Bonds4

About 4-[(4-phenyldiazenylphenyl)diazenyl]phenol

4-[(4-phenyldiazenylphenyl)diazenyl]phenol (PubChem CID 22623) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-[(4-phenyldiazenylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(4-phenyldiazenylphenyl)diazenyl]phenol
PubChem CID22623
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name4-[(4-phenyldiazenylphenyl)diazenyl]phenol
SMILESOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14N4O/c23-18-12-10-17(11-13-18)22-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13,23H/b20-19+,22-21+
InChIKeyRTZYVAQWQXPIAC-DKHHWMATSA-N
XLogP6.22
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.34
LogP ≤ 56.22
H-Bond Donors ≤ 51
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-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The IUPAC name of 4-[(4-phenyldiazenylphenyl)diazenyl]phenol (CID 22623) is 4-[(4-phenyldiazenylphenyl)diazenyl]phenol.
What is the SMILES notation for 4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The canonical SMILES for 4-[(4-phenyldiazenylphenyl)diazenyl]phenol is Oc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The InChIKey is RTZYVAQWQXPIAC-DKHHWMATSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-12-10-17(11-13-18)22-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13,23H/b20-19+,22-21+.
What are the key properties of 4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
4-[(4-phenyldiazenylphenyl)diazenyl]phenol has a molecular weight of 302.34 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyldiazenylphenyl)diazenyl]phenol is sourced from PubChem (CID 22623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).