[2-(4-chlorophenyl)phenyl]-phenyldiazene

C18H13ClN2 — CID 87651281

IUPAC[2-(4-chlorophenyl)phenyl]-phenyldiazene
SMILESClc1ccc(-c2ccccc2/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H13ClN2/c19-15-12-10-14(11-13-15)17-8-4-5-9-18(17)21-20-16-6-2-1-3-7-16/h1-13H/b21-20+
InChIKeyGZSDFTWHXODOEI-QZQOTICOSA-N
MW292.77 g/mol
LogP6.42
Rot. Bonds3

About [2-(4-chlorophenyl)phenyl]-phenyldiazene

[2-(4-chlorophenyl)phenyl]-phenyldiazene (PubChem CID 87651281) has the molecular formula C18H13ClN2 and a molecular weight of 292.77 g/mol. Its IUPAC name is [2-(4-chlorophenyl)phenyl]-phenyldiazene.

Molecular Properties

Compound Name[2-(4-chlorophenyl)phenyl]-phenyldiazene
PubChem CID87651281
Molecular FormulaC18H13ClN2
Molecular Weight292.77 g/mol
Exact Mass292.08
IUPAC Name[2-(4-chlorophenyl)phenyl]-phenyldiazene
SMILESClc1ccc(-c2ccccc2/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H13ClN2/c19-15-12-10-14(11-13-15)17-8-4-5-9-18(17)21-20-16-6-2-1-3-7-16/h1-13H/b21-20+
InChIKeyGZSDFTWHXODOEI-QZQOTICOSA-N
XLogP6.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.77
LogP ≤ 56.42
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 [2-(4-chlorophenyl)phenyl]-phenyldiazene?
The IUPAC name of [2-(4-chlorophenyl)phenyl]-phenyldiazene (CID 87651281) is [2-(4-chlorophenyl)phenyl]-phenyldiazene.
What is the SMILES notation for [2-(4-chlorophenyl)phenyl]-phenyldiazene?
The canonical SMILES for [2-(4-chlorophenyl)phenyl]-phenyldiazene is Clc1ccc(-c2ccccc2/N=N/c2ccccc2)cc1.
What is the InChIKey of [2-(4-chlorophenyl)phenyl]-phenyldiazene?
The InChIKey is GZSDFTWHXODOEI-QZQOTICOSA-N. The full InChI is InChI=1S/C18H13ClN2/c19-15-12-10-14(11-13-15)17-8-4-5-9-18(17)21-20-16-6-2-1-3-7-16/h1-13H/b21-20+.
What are the key properties of [2-(4-chlorophenyl)phenyl]-phenyldiazene?
[2-(4-chlorophenyl)phenyl]-phenyldiazene has a molecular weight of 292.77 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)phenyl]-phenyldiazene is sourced from PubChem (CID 87651281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).