2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine

C29H23NS2 — CID 171718260

IUPAC2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3sc(-c4ccc5ccsc5c4)cc23)cc2ccccc12
InChIInChI=1S/C29H23NS2/c1-29(2,3)24-15-21(14-19-6-4-5-7-22(19)24)28-23-17-27(32-25(23)10-12-30-28)20-9-8-18-11-13-31-26(18)16-20/h4-17H,1-3H3
InChIKeyVJSCKCJGWORTMY-UHFFFAOYSA-N
MW449.64 g/mol
LogP9.30
Rot. Bonds2

About 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine

2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine (PubChem CID 171718260) has the molecular formula C29H23NS2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine
PubChem CID171718260
Molecular FormulaC29H23NS2
Molecular Weight449.64 g/mol
Exact Mass449.13
IUPAC Name2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3sc(-c4ccc5ccsc5c4)cc23)cc2ccccc12
InChIInChI=1S/C29H23NS2/c1-29(2,3)24-15-21(14-19-6-4-5-7-22(19)24)28-23-17-27(32-25(23)10-12-30-28)20-9-8-18-11-13-31-26(18)16-20/h4-17H,1-3H3
InChIKeyVJSCKCJGWORTMY-UHFFFAOYSA-N
XLogP9.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-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
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-7-ylthieno[3,2-c]pyridine
CID 171717994
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine
CID 171718675
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-5-ylthieno[3,2-c]pyridine
CID 171718710
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
4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine
CID 171718083
5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine
CID 171717980
2-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-c]pyridine
CID 171717712
4-(1-benzothiophen-5-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741885
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-5-ylthieno[2,3-c]pyridine
CID 171718582
6-(1-benzothiophen-4-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[2,3-d]pyrimidine
CID 171717750

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine?
The IUPAC name of 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine (CID 171718260) is 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine.
What is the SMILES notation for 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine?
The canonical SMILES for 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine is CC(C)(C)c1cc(-c2nccc3sc(-c4ccc5ccsc5c4)cc23)cc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine?
The InChIKey is VJSCKCJGWORTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NS2/c1-29(2,3)24-15-21(14-19-6-4-5-7-22(19)24)28-23-17-27(32-25(23)10-12-30-28)20-9-8-18-11-13-31-26(18)16-20/h4-17H,1-3H3.
What are the key properties of 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine?
2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine has a molecular weight of 449.64 g/mol, XLogP of 9.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 171718260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).