2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine

C26H20N2OS2 — CID 59027662

IUPAC2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)cn5)s4)cn3)s2)cc1
InChIInChI=1S/C26H20N2OS2/c1-17-3-9-21(27-15-17)25-14-12-24(31-25)19-6-10-22(28-16-19)26-13-11-23(30-26)18-4-7-20(29-2)8-5-18/h3-16H,1-2H3
InChIKeyOZAXFUOHKOCSGH-UHFFFAOYSA-N
MW440.59 g/mol
LogP7.58
Rot. Bonds5

About 2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine

2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine (PubChem CID 59027662) has the molecular formula C26H20N2OS2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine
PubChem CID59027662
Molecular FormulaC26H20N2OS2
Molecular Weight440.59 g/mol
Exact Mass440.10
IUPAC Name2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)cn5)s4)cn3)s2)cc1
InChIInChI=1S/C26H20N2OS2/c1-17-3-9-21(27-15-17)25-14-12-24(31-25)19-6-10-22(28-16-19)26-13-11-23(30-26)18-4-7-20(29-2)8-5-18/h3-16H,1-2H3
InChIKeyOZAXFUOHKOCSGH-UHFFFAOYSA-N
XLogP7.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine?
The IUPAC name of 2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine (CID 59027662) is 2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine?
The canonical SMILES for 2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine is COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)cn5)s4)cn3)s2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine?
The InChIKey is OZAXFUOHKOCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2OS2/c1-17-3-9-21(27-15-17)25-14-12-24(31-25)19-6-10-22(28-16-19)26-13-11-23(30-26)18-4-7-20(29-2)8-5-18/h3-16H,1-2H3.
What are the key properties of 2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine?
2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine has a molecular weight of 440.59 g/mol, XLogP of 7.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)thiophen-2-yl]-5-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 59027662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).