7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine

C31H27NOS — CID 171718617

IUPAC7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine
SMILESCc1cc2c(-c3sc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4c3C)cccc2o1
InChIInChI=1S/C31H27NOS/c1-18-15-25-24(11-8-12-27(25)33-18)29-19(2)22-13-14-32-28(30(22)34-29)21-16-20-9-6-7-10-23(20)26(17-21)31(3,4)5/h6-17H,1-5H3
InChIKeyCHPSDFJYGFKULP-UHFFFAOYSA-N
MW461.63 g/mol
LogP9.44
Rot. Bonds2

About 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine (PubChem CID 171718617) has the molecular formula C31H27NOS and a molecular weight of 461.63 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine
PubChem CID171718617
Molecular FormulaC31H27NOS
Molecular Weight461.63 g/mol
Exact Mass461.18
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine
SMILESCc1cc2c(-c3sc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4c3C)cccc2o1
InChIInChI=1S/C31H27NOS/c1-18-15-25-24(11-8-12-27(25)33-18)29-19(2)22-13-14-32-28(30(22)34-29)21-16-20-9-6-7-10-23(20)26(17-21)31(3,4)5/h6-17H,1-5H3
InChIKeyCHPSDFJYGFKULP-UHFFFAOYSA-N
XLogP9.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.63
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)thieno[2,3-c]pyridine
CID 171717724
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine
CID 171578743
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzothiophen-7-yl]thieno[2,3-c]pyridine
CID 171718311
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
CID 163651391
[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-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)-2-[3,4-dimethyl-5-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-3-methylthieno[2,3-c]pyridine
CID 163863699
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane
CID 170660272
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine (CID 171718617) is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine is Cc1cc2c(-c3sc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4c3C)cccc2o1.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine?
The InChIKey is CHPSDFJYGFKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NOS/c1-18-15-25-24(11-8-12-27(25)33-18)29-19(2)22-13-14-32-28(30(22)34-29)21-16-20-9-6-7-10-23(20)26(17-21)31(3,4)5/h6-17H,1-5H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine has a molecular weight of 461.63 g/mol, XLogP of 9.44, 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-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 171718617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).