2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline

C32H24FNO — CID 170397486

IUPAC2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline
SMILESC=C(Oc1ccccc1N)c1ccc(-c2cccc(-c3ccc(-c4ccc(F)cc4)cc3)c2)cc1
InChIInChI=1S/C32H24FNO/c1-22(35-32-8-3-2-7-31(32)34)23-9-11-26(12-10-23)28-5-4-6-29(21-28)27-15-13-24(14-16-27)25-17-19-30(33)20-18-25/h2-21H,1,34H2
InChIKeyYPBARAYRQFFLIH-UHFFFAOYSA-N
MW457.55 g/mol
LogP8.46
Rot. Bonds6

About 2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline

2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline (PubChem CID 170397486) has the molecular formula C32H24FNO and a molecular weight of 457.55 g/mol. Its IUPAC name is 2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline.

Molecular Properties

Compound Name2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline
PubChem CID170397486
Molecular FormulaC32H24FNO
Molecular Weight457.55 g/mol
Exact Mass457.18
IUPAC Name2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline
SMILESC=C(Oc1ccccc1N)c1ccc(-c2cccc(-c3ccc(-c4ccc(F)cc4)cc3)c2)cc1
InChIInChI=1S/C32H24FNO/c1-22(35-32-8-3-2-7-31(32)34)23-9-11-26(12-10-23)28-5-4-6-29(21-28)27-15-13-24(14-16-27)25-17-19-30(33)20-18-25/h2-21H,1,34H2
InChIKeyYPBARAYRQFFLIH-UHFFFAOYSA-N
XLogP8.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline 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-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline?
The IUPAC name of 2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline (CID 170397486) is 2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline.
What is the SMILES notation for 2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline?
The canonical SMILES for 2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline is C=C(Oc1ccccc1N)c1ccc(-c2cccc(-c3ccc(-c4ccc(F)cc4)cc3)c2)cc1.
What is the InChIKey of 2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline?
The InChIKey is YPBARAYRQFFLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FNO/c1-22(35-32-8-3-2-7-31(32)34)23-9-11-26(12-10-23)28-5-4-6-29(21-28)27-15-13-24(14-16-27)25-17-19-30(33)20-18-25/h2-21H,1,34H2.
What are the key properties of 2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline?
2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline has a molecular weight of 457.55 g/mol, XLogP of 8.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline is sourced from PubChem (CID 170397486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).