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

C30H25NOS — CID 171718247

IUPAC7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine
SMILESCc1csc2cccc(-c3cc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4o3)c12
InChIInChI=1S/C30H25NOS/c1-18-17-33-26-11-7-10-23(27(18)26)25-16-20-12-13-31-28(29(20)32-25)21-14-19-8-5-6-9-22(19)24(15-21)30(2,3)4/h5-17H,1-4H3
InChIKeyKRCHMZCLOTVXJS-UHFFFAOYSA-N
MW447.60 g/mol
LogP9.14
Rot. Bonds2

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

7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine (PubChem CID 171718247) has the molecular formula C30H25NOS and a molecular weight of 447.60 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine
PubChem CID171718247
Molecular FormulaC30H25NOS
Molecular Weight447.60 g/mol
Exact Mass447.17
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine
SMILESCc1csc2cccc(-c3cc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4o3)c12
InChIInChI=1S/C30H25NOS/c1-18-17-33-26-11-7-10-23(27(18)26)25-16-20-12-13-31-28(29(20)32-25)21-14-19-8-5-6-9-22(19)24(15-21)30(2,3)4/h5-17H,1-4H3
InChIKeyKRCHMZCLOTVXJS-UHFFFAOYSA-N
XLogP9.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine
CID 171717908
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-(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)-2-iodofuro[2,3-c]pyridine
CID 170660676
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
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine
CID 171718233
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine
CID 171718566

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine (CID 171718247) is 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine is Cc1csc2cccc(-c3cc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4o3)c12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine?
The InChIKey is KRCHMZCLOTVXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NOS/c1-18-17-33-26-11-7-10-23(27(18)26)25-16-20-12-13-31-28(29(20)32-25)21-14-19-8-5-6-9-22(19)24(15-21)30(2,3)4/h5-17H,1-4H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine has a molecular weight of 447.60 g/mol, XLogP of 9.14, 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)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine is sourced from PubChem (CID 171718247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).