4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine

C24H16FNS — CID 118911857

IUPAC4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine
SMILESFc1ccc(-c2scc(C#CCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C24H16FNS/c25-22-11-9-20(10-12-22)24-23(19-13-15-26-16-14-19)21(17-27-24)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-17H,7H2
InChIKeyDBZANHAZLXFEKX-UHFFFAOYSA-N
MW369.46 g/mol
LogP6.21
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine

4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine (PubChem CID 118911857) has the molecular formula C24H16FNS and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine
PubChem CID118911857
Molecular FormulaC24H16FNS
Molecular Weight369.46 g/mol
Exact Mass369.10
IUPAC Name4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine
SMILESFc1ccc(-c2scc(C#CCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C24H16FNS/c25-22-11-9-20(10-12-22)24-23(19-13-15-26-16-14-19)21(17-27-24)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-17H,7H2
InChIKeyDBZANHAZLXFEKX-UHFFFAOYSA-N
XLogP6.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine?
The IUPAC name of 4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine (CID 118911857) is 4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine is Fc1ccc(-c2scc(C#CCc3ccccc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine?
The InChIKey is DBZANHAZLXFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNS/c25-22-11-9-20(10-12-22)24-23(19-13-15-26-16-14-19)21(17-27-24)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-17H,7H2.
What are the key properties of 4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine?
4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine has a molecular weight of 369.46 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4-(3-phenylprop-1-ynyl)thiophen-3-yl]pyridine is sourced from PubChem (CID 118911857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).