4-phenyldiazenylaniline

C12H11N3 — CID 6051

IUPAC4-phenyldiazenylaniline
SMILESNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+
InChIKeyQPQKUYVSJWQSDY-CCEZHUSRSA-N
MW197.24 g/mol
LogP3.68
Rot. Bonds2

About 4-phenyldiazenylaniline

4-phenyldiazenylaniline (PubChem CID 6051) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-phenyldiazenylaniline.

Molecular Properties

Compound Name4-phenyldiazenylaniline
PubChem CID6051
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name4-phenyldiazenylaniline
SMILESNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+
InChIKeyQPQKUYVSJWQSDY-CCEZHUSRSA-N
XLogP3.68
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyldiazenylaniline?
The IUPAC name of 4-phenyldiazenylaniline (CID 6051) is 4-phenyldiazenylaniline.
What is the SMILES notation for 4-phenyldiazenylaniline?
The canonical SMILES for 4-phenyldiazenylaniline is Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 4-phenyldiazenylaniline?
The InChIKey is QPQKUYVSJWQSDY-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+.
What are the key properties of 4-phenyldiazenylaniline?
4-phenyldiazenylaniline has a molecular weight of 197.24 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenylaniline is sourced from PubChem (CID 6051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).