2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine

C25H17NOS — CID 58622644

IUPAC2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine
SMILESc1ccc(-c2ccc(Oc3cncc4sc(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C25H17NOS/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)27-23-16-26-17-25-22(23)15-24(28-25)20-9-5-2-6-10-20/h1-17H
InChIKeyVLYRBYLDVJFAQE-UHFFFAOYSA-N
MW379.48 g/mol
LogP7.42
Rot. Bonds4

About 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine

2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine (PubChem CID 58622644) has the molecular formula C25H17NOS and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine
PubChem CID58622644
Molecular FormulaC25H17NOS
Molecular Weight379.48 g/mol
Exact Mass379.10
IUPAC Name2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine
SMILESc1ccc(-c2ccc(Oc3cncc4sc(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C25H17NOS/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)27-23-16-26-17-25-22(23)15-24(28-25)20-9-5-2-6-10-20/h1-17H
InChIKeyVLYRBYLDVJFAQE-UHFFFAOYSA-N
XLogP7.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
The IUPAC name of 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine (CID 58622644) is 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine is c1ccc(-c2ccc(Oc3cncc4sc(-c5ccccc5)cc34)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
The InChIKey is VLYRBYLDVJFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NOS/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)27-23-16-26-17-25-22(23)15-24(28-25)20-9-5-2-6-10-20/h1-17H.
What are the key properties of 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine has a molecular weight of 379.48 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine is sourced from PubChem (CID 58622644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).