2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine

C27H30N2S2 — CID 58240094

IUPAC2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc(Cc3cccc(-c4ccc(C(C)(C)C)s4)n3)n2)s1
InChIInChI=1S/C27H30N2S2/c1-26(2,3)24-15-13-22(30-24)20-11-7-9-18(28-20)17-19-10-8-12-21(29-19)23-14-16-25(31-23)27(4,5)6/h7-16H,17H2,1-6H3
InChIKeyZSDGSBPKYGQKNL-UHFFFAOYSA-N
MW446.69 g/mol
LogP8.12
Rot. Bonds4

About 2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine

2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine (PubChem CID 58240094) has the molecular formula C27H30N2S2 and a molecular weight of 446.69 g/mol. Its IUPAC name is 2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine.

Molecular Properties

Compound Name2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine
PubChem CID58240094
Molecular FormulaC27H30N2S2
Molecular Weight446.69 g/mol
Exact Mass446.19
IUPAC Name2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc(Cc3cccc(-c4ccc(C(C)(C)C)s4)n3)n2)s1
InChIInChI=1S/C27H30N2S2/c1-26(2,3)24-15-13-22(30-24)20-11-7-9-18(28-20)17-19-10-8-12-21(29-19)23-14-16-25(31-23)27(4,5)6/h7-16H,17H2,1-6H3
InChIKeyZSDGSBPKYGQKNL-UHFFFAOYSA-N
XLogP8.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.69
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine?
The IUPAC name of 2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine (CID 58240094) is 2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine.
What is the SMILES notation for 2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine?
The canonical SMILES for 2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine is CC(C)(C)c1ccc(-c2cccc(Cc3cccc(-c4ccc(C(C)(C)C)s4)n3)n2)s1.
What is the InChIKey of 2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine?
The InChIKey is ZSDGSBPKYGQKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2S2/c1-26(2,3)24-15-13-22(30-24)20-11-7-9-18(28-20)17-19-10-8-12-21(29-19)23-14-16-25(31-23)27(4,5)6/h7-16H,17H2,1-6H3.
What are the key properties of 2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine?
2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine has a molecular weight of 446.69 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine is sourced from PubChem (CID 58240094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).