4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol

C22H16N4O — CID 22625

IUPAC4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol
SMILESOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H/b25-23+,26-24+
InChIKeyFWTBRYBHCBCJEQ-OGGGYYITSA-N
MW352.40 g/mol
LogP7.38
Rot. Bonds4

About 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol

4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol (PubChem CID 22625) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol
PubChem CID22625
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol
SMILESOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H/b25-23+,26-24+
InChIKeyFWTBRYBHCBCJEQ-OGGGYYITSA-N
XLogP7.38
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 57.38
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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Related Compounds

1-(Phenylazo)-2-naphthol
CID 13297
1-(p-Phenylazophenylazo)-2-naphthol (Sudan III)
CID 62331
1-Naphthalenol, 4-[2-(4-nitrophenyl)diazenyl]-
CID 79174
Sudan IV
CID 62330
Solvent Red 4
CID 75859
C.I. Solvent Red 26
CID 62541
1-(4-Hydroxyphenylazo)-2-naphthol
CID 167212
Disperse Yellow 7
CID 22736
1-[2-[4-[2-(2,5-Dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-naphthalenol
CID 2724054
1-Naphthalenol, 4-(phenylazo)-
CID 77214
1-Naphthalenol, 4-(1-naphthalenylazo)-
CID 75860
4-(2-Naphthyldiazenyl)phenol
CID 135442096

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol?
The IUPAC name of 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol (CID 22625) is 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol.
What is the SMILES notation for 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol?
The canonical SMILES for 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol is Oc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol?
The InChIKey is FWTBRYBHCBCJEQ-OGGGYYITSA-N. The full InChI is InChI=1S/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H/b25-23+,26-24+.
What are the key properties of 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol?
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol has a molecular weight of 352.40 g/mol, XLogP of 7.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol is sourced from PubChem (CID 22625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).