2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol

C18H15N5O2 — CID 136723444

IUPAC2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol
SMILESOc1cccc(O)c1/N=N/Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H15N5O2/c24-16-7-4-8-17(25)18(16)22-23-21-15-11-9-14(10-12-15)20-19-13-5-2-1-3-6-13/h1-12,24-25H,(H,21,22)/b20-19+
InChIKeyRJWCAGKYAPCQSE-FMQUCBEESA-N
MW333.35 g/mol
LogP5.62
Rot. Bonds5

About 2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol

2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol (PubChem CID 136723444) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol
PubChem CID136723444
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol
SMILESOc1cccc(O)c1/N=N/Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H15N5O2/c24-16-7-4-8-17(25)18(16)22-23-21-15-11-9-14(10-12-15)20-19-13-5-2-1-3-6-13/h1-12,24-25H,(H,21,22)/b20-19+
InChIKeyRJWCAGKYAPCQSE-FMQUCBEESA-N
XLogP5.62
TPSA101.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
CID 136797949
N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline
CID 86015373
N-[(2-phenyldiazenylphenyl)diazenyl]aniline
CID 71340001
N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide
CID 176870941
N-chloro-4-phenyldiazenylaniline
CID 88790195
sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide
CID 173441776
4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline
CID 101380460
ethane;N-methyl-4-phenyldiazenylaniline
CID 90785372
2-phenyldiazenylphenol
CID 16897
diphenyldiazene;hydrofluoride
CID 174857584
diphenyldiazene;urea
CID 175083568
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol?
The IUPAC name of 2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol (CID 136723444) is 2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol.
What is the SMILES notation for 2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol?
The canonical SMILES for 2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol is Oc1cccc(O)c1/N=N/Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol?
The InChIKey is RJWCAGKYAPCQSE-FMQUCBEESA-N. The full InChI is InChI=1S/C18H15N5O2/c24-16-7-4-8-17(25)18(16)22-23-21-15-11-9-14(10-12-15)20-19-13-5-2-1-3-6-13/h1-12,24-25H,(H,21,22)/b20-19+.
What are the key properties of 2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol?
2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol has a molecular weight of 333.35 g/mol, XLogP of 5.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol is sourced from PubChem (CID 136723444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).