4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine

C28H22N2S2 — CID 171718675

IUPAC4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3sc(-c4ccc5ccsc5n4)cc23)cc2ccccc12
InChIInChI=1S/C28H22N2S2/c1-28(2,3)22-15-19(14-18-6-4-5-7-20(18)22)26-21-16-25(32-24(21)10-12-29-26)23-9-8-17-11-13-31-27(17)30-23/h4-16H,1-3H3
InChIKeyKWQALSVMBZNNAM-UHFFFAOYSA-N
MW450.63 g/mol
LogP8.69
Rot. Bonds2

About 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine

4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine (PubChem CID 171718675) has the molecular formula C28H22N2S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine
PubChem CID171718675
Molecular FormulaC28H22N2S2
Molecular Weight450.63 g/mol
Exact Mass450.12
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3sc(-c4ccc5ccsc5n4)cc23)cc2ccccc12
InChIInChI=1S/C28H22N2S2/c1-28(2,3)22-15-19(14-18-6-4-5-7-20(18)22)26-21-16-25(32-24(21)10-12-29-26)23-9-8-17-11-13-31-27(17)30-23/h4-16H,1-3H3
InChIKeyKWQALSVMBZNNAM-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 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine with MolForge

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Related Compounds

4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-5-ylthieno[3,2-c]pyridine
CID 171718710
2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine
CID 171718260
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-7-ylthieno[3,2-c]pyridine
CID 171717994
5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine
CID 171717980
4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine
CID 171718273
7-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[2,3-c]pyridine
CID 171718726
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-5-ylthieno[2,3-c]pyridine
CID 171718582
2-(1-benzothiophen-6-yl)-7-(4-tert-butylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 171718136
4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine
CID 171718083
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine
CID 171717853
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-[2-methyl-6-(2-methylpropyl)-1-benzofuran-3-yl]thieno[3,2-c]pyridine
CID 171717527

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine?
The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine (CID 171718675) is 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine is CC(C)(C)c1cc(-c2nccc3sc(-c4ccc5ccsc5n4)cc23)cc2ccccc12.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine?
The InChIKey is KWQALSVMBZNNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2S2/c1-28(2,3)22-15-19(14-18-6-4-5-7-20(18)22)26-21-16-25(32-24(21)10-12-29-26)23-9-8-17-11-13-31-27(17)30-23/h4-16H,1-3H3.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine?
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-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 4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine is sourced from PubChem (CID 171718675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).