4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid

C26H18FNO2 — CID 67336227

IUPAC4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)cc1C=Cc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C26H18FNO2/c27-24-12-9-19(10-13-24)21-11-14-25(26(29)30)22(16-21)8-5-18-3-6-20(7-4-18)23-2-1-15-28-17-23/h1-17H,(H,29,30)
InChIKeyIRZGYQUGKWEVSI-UHFFFAOYSA-N
MW395.43 g/mol
LogP6.42
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid

4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid (PubChem CID 67336227) has the molecular formula C26H18FNO2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid
PubChem CID67336227
Molecular FormulaC26H18FNO2
Molecular Weight395.43 g/mol
Exact Mass395.13
IUPAC Name4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)cc1C=Cc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C26H18FNO2/c27-24-12-9-19(10-13-24)21-11-14-25(26(29)30)22(16-21)8-5-18-3-6-20(7-4-18)23-2-1-15-28-17-23/h1-17H,(H,29,30)
InChIKeyIRZGYQUGKWEVSI-UHFFFAOYSA-N
XLogP6.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid (CID 67336227) is 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid is O=C(O)c1ccc(-c2ccc(F)cc2)cc1C=Cc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid?
The InChIKey is IRZGYQUGKWEVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FNO2/c27-24-12-9-19(10-13-24)21-11-14-25(26(29)30)22(16-21)8-5-18-3-6-20(7-4-18)23-2-1-15-28-17-23/h1-17H,(H,29,30).
What are the key properties of 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid?
4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid has a molecular weight of 395.43 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethenyl]benzoic acid is sourced from PubChem (CID 67336227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).