7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine

C33H31NOS — CID 171718506

IUPAC7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine
SMILESCC(C)Cc1ccc2oc(-c3cc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4s3)cc2c1
InChIInChI=1S/C33H31NOS/c1-20(2)14-21-10-11-28-24(15-21)18-29(35-28)30-19-23-12-13-34-31(32(23)36-30)25-16-22-8-6-7-9-26(22)27(17-25)33(3,4)5/h6-13,15-20H,14H2,1-5H3
InChIKeyYWOUAYIMJASMMI-UHFFFAOYSA-N
MW489.68 g/mol
LogP10.03
Rot. Bonds4

About 7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine (PubChem CID 171718506) has the molecular formula C33H31NOS and a molecular weight of 489.68 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine
PubChem CID171718506
Molecular FormulaC33H31NOS
Molecular Weight489.68 g/mol
Exact Mass489.21
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine
SMILESCC(C)Cc1ccc2oc(-c3cc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4s3)cc2c1
InChIInChI=1S/C33H31NOS/c1-20(2)14-21-10-11-28-24(15-21)18-29(35-28)30-19-23-12-13-34-31(32(23)36-30)25-16-22-8-6-7-9-26(22)27(17-25)33(3,4)5/h6-13,15-20H,14H2,1-5H3
InChIKeyYWOUAYIMJASMMI-UHFFFAOYSA-N
XLogP10.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.68
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-6-yl]thieno[2,3-c]pyridine
CID 171718089
15-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 154599278
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-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
CID 171718138
2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2-methylpropyl)-1-benzothiophen-2-yl]pyridine
CID 171741518
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-6-(2-methylpropyl)-1-benzothiophen-3-yl]furo[2,3-c]pyridine
CID 171717652
1-(4-tert-butylnaphthalen-2-yl)-7-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine
CID 154599340
4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-6-(2-methylpropyl)-1-benzofuran-3-yl]thieno[3,2-c]pyridine
CID 171717527
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[3,2-c]pyridine
CID 171718664
6-(4-tert-butylnaphthalen-2-yl)-14-(2-methylpropyl)-16-oxa-8-thia-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10,12,14-heptaene
CID 170545618
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
6-(4-tert-butylnaphthalen-2-yl)-16,16-dimethyl-13-(2-methylpropyl)-8-thia-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaene
CID 170545620

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine (CID 171718506) is 7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine is CC(C)Cc1ccc2oc(-c3cc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4s3)cc2c1.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine?
The InChIKey is YWOUAYIMJASMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NOS/c1-20(2)14-21-10-11-28-24(15-21)18-29(35-28)30-19-23-12-13-34-31(32(23)36-30)25-16-22-8-6-7-9-26(22)27(17-25)33(3,4)5/h6-13,15-20H,14H2,1-5H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine has a molecular weight of 489.68 g/mol, XLogP of 10.03, 4 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)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine is sourced from PubChem (CID 171718506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).