4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline

C26H20ClN — CID 20650306

IUPAC4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline
SMILESClc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H20ClN/c27-23-17-13-21(14-18-23)11-12-22-15-19-26(20-16-22)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-20H/b12-11+
InChIKeyOYPSZYCHFDMPDH-VAWYXSNFSA-N
MW381.91 g/mol
LogP7.98
Rot. Bonds5

About 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline

4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline (PubChem CID 20650306) has the molecular formula C26H20ClN and a molecular weight of 381.91 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline
PubChem CID20650306
Molecular FormulaC26H20ClN
Molecular Weight381.91 g/mol
Exact Mass381.13
IUPAC Name4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline
SMILESClc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H20ClN/c27-23-17-13-21(14-18-23)11-12-22-15-19-26(20-16-22)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-20H/b12-11+
InChIKeyOYPSZYCHFDMPDH-VAWYXSNFSA-N
XLogP7.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline (CID 20650306) is 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline is Clc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline?
The InChIKey is OYPSZYCHFDMPDH-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H20ClN/c27-23-17-13-21(14-18-23)11-12-22-15-19-26(20-16-22)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-20H/b12-11+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline?
4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline has a molecular weight of 381.91 g/mol, XLogP of 7.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 20650306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).