2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine

C27H29NO2S — CID 89469282

IUPAC2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine
SMILESCCCCCCCCOc1ccc(-c2cc(-c3ccco3)nc(-c3cccs3)c2)cc1
InChIInChI=1S/C27H29NO2S/c1-2-3-4-5-6-7-16-29-23-14-12-21(13-15-23)22-19-24(26-10-8-17-30-26)28-25(20-22)27-11-9-18-31-27/h8-15,17-20H,2-7,16H2,1H3
InChIKeyHGLYAJICBHQXOW-UHFFFAOYSA-N
MW431.60 g/mol
LogP8.48
Rot. Bonds11

About 2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine

2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine (PubChem CID 89469282) has the molecular formula C27H29NO2S and a molecular weight of 431.60 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine
PubChem CID89469282
Molecular FormulaC27H29NO2S
Molecular Weight431.60 g/mol
Exact Mass431.19
IUPAC Name2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine
SMILESCCCCCCCCOc1ccc(-c2cc(-c3ccco3)nc(-c3cccs3)c2)cc1
InChIInChI=1S/C27H29NO2S/c1-2-3-4-5-6-7-16-29-23-14-12-21(13-15-23)22-19-24(26-10-8-17-30-26)28-25(20-22)27-11-9-18-31-27/h8-15,17-20H,2-7,16H2,1H3
InChIKeyHGLYAJICBHQXOW-UHFFFAOYSA-N
XLogP8.48
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine?
The IUPAC name of 2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine (CID 89469282) is 2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine.
What is the SMILES notation for 2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine?
The canonical SMILES for 2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine is CCCCCCCCOc1ccc(-c2cc(-c3ccco3)nc(-c3cccs3)c2)cc1.
What is the InChIKey of 2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine?
The InChIKey is HGLYAJICBHQXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2S/c1-2-3-4-5-6-7-16-29-23-14-12-21(13-15-23)22-19-24(26-10-8-17-30-26)28-25(20-22)27-11-9-18-31-27/h8-15,17-20H,2-7,16H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine?
2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine has a molecular weight of 431.60 g/mol, XLogP of 8.48, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(4-octoxyphenyl)-6-thiophen-2-ylpyridine is sourced from PubChem (CID 89469282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).