2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine

C33H23NS — CID 140587162

IUPAC2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)cc(-c3cccs3)c2)cc1
InChIInChI=1S/C33H23NS/c1-2-9-24(10-3-1)29-21-30(23-31(22-29)33-16-8-18-35-33)27-13-6-11-25(19-27)26-12-7-14-28(20-26)32-15-4-5-17-34-32/h1-23H
InChIKeyJGLNDYFYCGHFDO-UHFFFAOYSA-N
MW465.62 g/mol
LogP9.48
Rot. Bonds5

About 2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine

2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 140587162) has the molecular formula C33H23NS and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine
PubChem CID140587162
Molecular FormulaC33H23NS
Molecular Weight465.62 g/mol
Exact Mass465.16
IUPAC Name2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)cc(-c3cccs3)c2)cc1
InChIInChI=1S/C33H23NS/c1-2-9-24(10-3-1)29-21-30(23-31(22-29)33-16-8-18-35-33)27-13-6-11-25(19-27)26-12-7-14-28(20-26)32-15-4-5-17-34-32/h1-23H
InChIKeyJGLNDYFYCGHFDO-UHFFFAOYSA-N
XLogP9.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine (CID 140587162) is 2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)cc(-c3cccs3)c2)cc1.
What is the InChIKey of 2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is JGLNDYFYCGHFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NS/c1-2-9-24(10-3-1)29-21-30(23-31(22-29)33-16-8-18-35-33)27-13-6-11-25(19-27)26-12-7-14-28(20-26)32-15-4-5-17-34-32/h1-23H.
What are the key properties of 2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine?
2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 465.62 g/mol, XLogP of 9.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 140587162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).