2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine

C29H23NOS — CID 171717908

IUPAC2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3cc(-c4csc5ccccc45)oc23)cc2ccccc12
InChIInChI=1S/C29H23NOS/c1-29(2,3)24-15-20(14-18-8-4-5-9-21(18)24)27-28-19(12-13-30-27)16-25(31-28)23-17-32-26-11-7-6-10-22(23)26/h4-17H,1-3H3
InChIKeyDXAJUJINMXPIJA-UHFFFAOYSA-N
MW433.58 g/mol
LogP8.83
Rot. Bonds2

About 2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine

2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine (PubChem CID 171717908) has the molecular formula C29H23NOS and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine
PubChem CID171717908
Molecular FormulaC29H23NOS
Molecular Weight433.58 g/mol
Exact Mass433.15
IUPAC Name2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3cc(-c4csc5ccccc45)oc23)cc2ccccc12
InChIInChI=1S/C29H23NOS/c1-29(2,3)24-15-20(14-18-8-4-5-9-21(18)24)27-28-19(12-13-30-27)16-25(31-28)23-17-32-26-11-7-6-10-22(23)26/h4-17H,1-3H3
InChIKeyDXAJUJINMXPIJA-UHFFFAOYSA-N
XLogP8.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine
CID 171718247
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylfuro[2,3-c]pyridine
CID 171717900
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine
CID 171718587
7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
CID 170660676
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine
CID 171718045
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
CID 170660593
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine
CID 171717514
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
CID 171718551
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-6-(2-methylpropyl)-1-benzothiophen-3-yl]furo[2,3-c]pyridine
CID 171717652
7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine
CID 171581583
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[5-(2-methylpropyl)-1-benzothiophen-3-yl]furo[3,2-c]pyridine
CID 171718091

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine (CID 171717908) is 2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine is CC(C)(C)c1cc(-c2nccc3cc(-c4csc5ccccc45)oc23)cc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine?
The InChIKey is DXAJUJINMXPIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NOS/c1-29(2,3)24-15-20(14-18-8-4-5-9-21(18)24)27-28-19(12-13-30-27)16-25(31-28)23-17-32-26-11-7-6-10-22(23)26/h4-17H,1-3H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine?
2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine has a molecular weight of 433.58 g/mol, XLogP of 8.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine is sourced from PubChem (CID 171717908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).