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

C28H22N2S2 — CID 171717853

IUPAC7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3cc(-c4ccnc5sccc45)sc23)cc2ccccc12
InChIInChI=1S/C28H22N2S2/c1-28(2,3)23-15-19(14-17-6-4-5-7-20(17)23)25-26-18(8-11-29-25)16-24(32-26)21-9-12-30-27-22(21)10-13-31-27/h4-16H,1-3H3
InChIKeyADDGKTALAPRZCM-UHFFFAOYSA-N
MW450.63 g/mol
LogP8.69
Rot. Bonds2

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

7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine (PubChem CID 171717853) has the molecular formula C28H22N2S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine
PubChem CID171717853
Molecular FormulaC28H22N2S2
Molecular Weight450.63 g/mol
Exact Mass450.12
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3cc(-c4ccnc5sccc45)sc23)cc2ccccc12
InChIInChI=1S/C28H22N2S2/c1-28(2,3)23-15-19(14-17-6-4-5-7-20(17)23)25-26-18(8-11-29-25)16-24(32-26)21-9-12-30-27-22(21)10-13-31-27/h4-16H,1-3H3
InChIKeyADDGKTALAPRZCM-UHFFFAOYSA-N
XLogP8.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine with MolForge

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Related Compounds

2-(1-benzothiophen-6-yl)-7-(4-tert-butylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 171718136
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-5-ylthieno[2,3-c]pyridine
CID 171718582
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylfuro[2,3-c]pyridine
CID 171717900
6-(1-benzothiophen-4-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[2,3-d]pyrimidine
CID 171717750
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-7-ylthieno[3,2-c]pyridine
CID 171717994
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-6-yl]thieno[2,3-c]pyridine
CID 171718089
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]thieno[2,3-c]pyridine
CID 171717762
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine
CID 171718675
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine
CID 171581583
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[2,3-c]pyridine
CID 168852902

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine (CID 171717853) is 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine is CC(C)(C)c1cc(-c2nccc3cc(-c4ccnc5sccc45)sc23)cc2ccccc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine?
The InChIKey is ADDGKTALAPRZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2S2/c1-28(2,3)23-15-19(14-17-6-4-5-7-20(17)23)25-26-18(8-11-29-25)16-24(32-26)21-9-12-30-27-22(21)10-13-31-27/h4-16H,1-3H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine has a molecular weight of 450.63 g/mol, XLogP of 8.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine is sourced from PubChem (CID 171717853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).