4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline

C26H20N2O2 — CID 54369623

IUPAC4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline
SMILESO=[N+]([O-])c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2O2/c29-28(30)26-19-15-22(16-20-26)12-11-21-13-17-25(18-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-20H
InChIKeyUSFOFOYOBPDBAW-UHFFFAOYSA-N
MW392.46 g/mol
LogP7.24
Rot. Bonds6

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

4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline (PubChem CID 54369623) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline
PubChem CID54369623
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline
SMILESO=[N+]([O-])c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2O2/c29-28(30)26-19-15-22(16-20-26)12-11-21-13-17-25(18-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-20H
InChIKeyUSFOFOYOBPDBAW-UHFFFAOYSA-N
XLogP7.24
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline (CID 54369623) is 4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline is O=[N+]([O-])c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline?
The InChIKey is USFOFOYOBPDBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c29-28(30)26-19-15-22(16-20-26)12-11-21-13-17-25(18-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-20H.
What are the key properties of 4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline?
4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline has a molecular weight of 392.46 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 54369623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).