(4-methylphenyl)-phenyldiazene

C13H12N2 — CID 13705

IUPAC(4-methylphenyl)-phenyldiazene
SMILESCc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H12N2/c1-11-7-9-13(10-8-11)15-14-12-5-3-2-4-6-12/h2-10H,1H3/b15-14+
InChIKeyGIJSVMOPNUOZBC-CCEZHUSRSA-N
MW196.25 g/mol
LogP4.41
Rot. Bonds2

About (4-methylphenyl)-phenyldiazene

(4-methylphenyl)-phenyldiazene (PubChem CID 13705) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (4-methylphenyl)-phenyldiazene.

Molecular Properties

Compound Name(4-methylphenyl)-phenyldiazene
PubChem CID13705
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name(4-methylphenyl)-phenyldiazene
SMILESCc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H12N2/c1-11-7-9-13(10-8-11)15-14-12-5-3-2-4-6-12/h2-10H,1H3/b15-14+
InChIKeyGIJSVMOPNUOZBC-CCEZHUSRSA-N
XLogP4.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylphenyl)-phenyldiazene?
The IUPAC name of (4-methylphenyl)-phenyldiazene (CID 13705) is (4-methylphenyl)-phenyldiazene.
What is the SMILES notation for (4-methylphenyl)-phenyldiazene?
The canonical SMILES for (4-methylphenyl)-phenyldiazene is Cc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-phenyldiazene?
The InChIKey is GIJSVMOPNUOZBC-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H12N2/c1-11-7-9-13(10-8-11)15-14-12-5-3-2-4-6-12/h2-10H,1H3/b15-14+.
What are the key properties of (4-methylphenyl)-phenyldiazene?
(4-methylphenyl)-phenyldiazene has a molecular weight of 196.25 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-phenyldiazene is sourced from PubChem (CID 13705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).