2-(2-azido-3-phenyldiazenylphenyl)phenol

C18H13N5O — CID 174563516

IUPAC2-(2-azido-3-phenyldiazenylphenyl)phenol
SMILES[N-]=[N+]=Nc1c(/N=N/c2ccccc2)cccc1-c1ccccc1O
InChIInChI=1S/C18H13N5O/c19-23-22-18-15(14-9-4-5-12-17(14)24)10-6-11-16(18)21-20-13-7-2-1-3-8-13/h1-12,24H/b21-20+
InChIKeyCYUZLMGGJGHZOD-QZQOTICOSA-N
MW315.34 g/mol
LogP6.42
Rot. Bonds4

About 2-(2-azido-3-phenyldiazenylphenyl)phenol

2-(2-azido-3-phenyldiazenylphenyl)phenol (PubChem CID 174563516) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(2-azido-3-phenyldiazenylphenyl)phenol.

Molecular Properties

Compound Name2-(2-azido-3-phenyldiazenylphenyl)phenol
PubChem CID174563516
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name2-(2-azido-3-phenyldiazenylphenyl)phenol
SMILES[N-]=[N+]=Nc1c(/N=N/c2ccccc2)cccc1-c1ccccc1O
InChIInChI=1S/C18H13N5O/c19-23-22-18-15(14-9-4-5-12-17(14)24)10-6-11-16(18)21-20-13-7-2-1-3-8-13/h1-12,24H/b21-20+
InChIKeyCYUZLMGGJGHZOD-QZQOTICOSA-N
XLogP6.42
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.34
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azido-3-phenyldiazenylphenyl)phenol?
The IUPAC name of 2-(2-azido-3-phenyldiazenylphenyl)phenol (CID 174563516) is 2-(2-azido-3-phenyldiazenylphenyl)phenol.
What is the SMILES notation for 2-(2-azido-3-phenyldiazenylphenyl)phenol?
The canonical SMILES for 2-(2-azido-3-phenyldiazenylphenyl)phenol is [N-]=[N+]=Nc1c(/N=N/c2ccccc2)cccc1-c1ccccc1O.
What is the InChIKey of 2-(2-azido-3-phenyldiazenylphenyl)phenol?
The InChIKey is CYUZLMGGJGHZOD-QZQOTICOSA-N. The full InChI is InChI=1S/C18H13N5O/c19-23-22-18-15(14-9-4-5-12-17(14)24)10-6-11-16(18)21-20-13-7-2-1-3-8-13/h1-12,24H/b21-20+.
What are the key properties of 2-(2-azido-3-phenyldiazenylphenyl)phenol?
2-(2-azido-3-phenyldiazenylphenyl)phenol has a molecular weight of 315.34 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azido-3-phenyldiazenylphenyl)phenol is sourced from PubChem (CID 174563516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).