4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine

C22H17NOS — CID 13191008

IUPAC4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(-c3cccs3)c2)cc1
InChIInChI=1S/C22H17NOS/c1-24-19-11-9-16(10-12-19)18-14-20(17-6-3-2-4-7-17)23-21(15-18)22-8-5-13-25-22/h2-15H,1H3
InChIKeyKPOAETRCTVGLOW-UHFFFAOYSA-N
MW343.45 g/mol
LogP6.15
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine

4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine (PubChem CID 13191008) has the molecular formula C22H17NOS and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine
PubChem CID13191008
Molecular FormulaC22H17NOS
Molecular Weight343.45 g/mol
Exact Mass343.10
IUPAC Name4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(-c3cccs3)c2)cc1
InChIInChI=1S/C22H17NOS/c1-24-19-11-9-16(10-12-19)18-14-20(17-6-3-2-4-7-17)23-21(15-18)22-8-5-13-25-22/h2-15H,1H3
InChIKeyKPOAETRCTVGLOW-UHFFFAOYSA-N
XLogP6.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine?
The IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine (CID 13191008) is 4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine is COc1ccc(-c2cc(-c3ccccc3)nc(-c3cccs3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine?
The InChIKey is KPOAETRCTVGLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOS/c1-24-19-11-9-16(10-12-19)18-14-20(17-6-3-2-4-7-17)23-21(15-18)22-8-5-13-25-22/h2-15H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine?
4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine has a molecular weight of 343.45 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine is sourced from PubChem (CID 13191008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).