7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine

C26H22N2S — CID 171581583

IUPAC7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3c(-c4ccncc4)csc23)cc2ccccc12
InChIInChI=1S/C26H22N2S/c1-26(2,3)23-15-19(14-18-6-4-5-7-20(18)23)24-25-21(10-13-28-24)22(16-29-25)17-8-11-27-12-9-17/h4-16H,1-3H3
InChIKeyDGXFJXIIVGZZTH-UHFFFAOYSA-N
MW394.54 g/mol
LogP7.48
Rot. Bonds2

About 7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine (PubChem CID 171581583) has the molecular formula C26H22N2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine
PubChem CID171581583
Molecular FormulaC26H22N2S
Molecular Weight394.54 g/mol
Exact Mass394.15
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3c(-c4ccncc4)csc23)cc2ccccc12
InChIInChI=1S/C26H22N2S/c1-26(2,3)23-15-19(14-18-6-4-5-7-20(18)23)24-25-21(10-13-28-24)22(16-29-25)17-8-11-27-12-9-17/h4-16H,1-3H3
InChIKeyDGXFJXIIVGZZTH-UHFFFAOYSA-N
XLogP7.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane
CID 170566810
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[2,3-c]pyridine
CID 168852902
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane
CID 170566811
7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine
CID 172542957
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane
CID 170660272
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
CID 163651391
1-(4-tert-butylnaphthalen-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 154599505
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine
CID 171717853
2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine
CID 171717908

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine (CID 171581583) is 7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine is CC(C)(C)c1cc(-c2nccc3c(-c4ccncc4)csc23)cc2ccccc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine?
The InChIKey is DGXFJXIIVGZZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2S/c1-26(2,3)23-15-19(14-18-6-4-5-7-20(18)23)24-25-21(10-13-28-24)22(16-29-25)17-8-11-27-12-9-17/h4-16H,1-3H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine has a molecular weight of 394.54 g/mol, XLogP of 7.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine is sourced from PubChem (CID 171581583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).