2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline

C24H20FN — CID 118027716

IUPAC2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline
SMILESC=C/C=C(\C=C)Nc1c(F)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H20FN/c1-3-11-21(4-2)26-24-22(19-14-9-6-10-15-19)16-20(17-23(24)25)18-12-7-5-8-13-18/h3-17,26H,1-2H2/b21-11+
InChIKeyYJIJUKHHSKXWBO-SRZZPIQSSA-N
MW341.43 g/mol
LogP6.83
Rot. Bonds6

About 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline

2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline (PubChem CID 118027716) has the molecular formula C24H20FN and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline
PubChem CID118027716
Molecular FormulaC24H20FN
Molecular Weight341.43 g/mol
Exact Mass341.16
IUPAC Name2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline
SMILESC=C/C=C(\C=C)Nc1c(F)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H20FN/c1-3-11-21(4-2)26-24-22(19-14-9-6-10-15-19)16-20(17-23(24)25)18-12-7-5-8-13-18/h3-17,26H,1-2H2/b21-11+
InChIKeyYJIJUKHHSKXWBO-SRZZPIQSSA-N
XLogP6.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline?
The IUPAC name of 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline (CID 118027716) is 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline.
What is the SMILES notation for 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline?
The canonical SMILES for 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline is C=C/C=C(\C=C)Nc1c(F)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline?
The InChIKey is YJIJUKHHSKXWBO-SRZZPIQSSA-N. The full InChI is InChI=1S/C24H20FN/c1-3-11-21(4-2)26-24-22(19-14-9-6-10-15-19)16-20(17-23(24)25)18-12-7-5-8-13-18/h3-17,26H,1-2H2/b21-11+.
What are the key properties of 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline?
2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline has a molecular weight of 341.43 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenylaniline is sourced from PubChem (CID 118027716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).