N,N-diphenyl-4-(2-phenylethenyl)aniline

C26H21N — CID 53401248

IUPACN,N-diphenyl-4-(2-phenylethenyl)aniline
SMILESC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H21N/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H
InChIKeyDXYYLUGHPCHMRQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP7.33
Rot. Bonds5

About N,N-diphenyl-4-(2-phenylethenyl)aniline

N,N-diphenyl-4-(2-phenylethenyl)aniline (PubChem CID 53401248) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is N,N-diphenyl-4-(2-phenylethenyl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(2-phenylethenyl)aniline
PubChem CID53401248
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC NameN,N-diphenyl-4-(2-phenylethenyl)aniline
SMILESC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H21N/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H
InChIKeyDXYYLUGHPCHMRQ-UHFFFAOYSA-N
XLogP7.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 57.33
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 N,N-diphenyl-4-(2-phenylethenyl)aniline?
The IUPAC name of N,N-diphenyl-4-(2-phenylethenyl)aniline (CID 53401248) is N,N-diphenyl-4-(2-phenylethenyl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(2-phenylethenyl)aniline?
The canonical SMILES for N,N-diphenyl-4-(2-phenylethenyl)aniline is C(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-4-(2-phenylethenyl)aniline?
The InChIKey is DXYYLUGHPCHMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H.
What are the key properties of N,N-diphenyl-4-(2-phenylethenyl)aniline?
N,N-diphenyl-4-(2-phenylethenyl)aniline has a molecular weight of 347.46 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(2-phenylethenyl)aniline is sourced from PubChem (CID 53401248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).