7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine

C31H27NOS — CID 171717514

IUPAC7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine
SMILESCc1csc2cc(-c3oc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4c3C)ccc12
InChIInChI=1S/C31H27NOS/c1-18-17-34-27-16-21(10-11-23(18)27)29-19(2)24-12-13-32-28(30(24)33-29)22-14-20-8-6-7-9-25(20)26(15-22)31(3,4)5/h6-17H,1-5H3
InChIKeyIODHRSZWLNEZNR-UHFFFAOYSA-N
MW461.63 g/mol
LogP9.44
Rot. Bonds2

About 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine (PubChem CID 171717514) 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-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine
PubChem CID171717514
Molecular FormulaC31H27NOS
Molecular Weight461.63 g/mol
Exact Mass461.18
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine
SMILESCc1csc2cc(-c3oc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4c3C)ccc12
InChIInChI=1S/C31H27NOS/c1-18-17-34-27-16-21(10-11-23(18)27)29-19(2)24-12-13-32-28(30(24)33-29)22-14-20-8-6-7-9-25(20)26(15-22)31(3,4)5/h6-17H,1-5H3
InChIKeyIODHRSZWLNEZNR-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-benzothiophen-2-yl)furo[2,3-c]pyridine
CID 171718566
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylfuro[2,3-c]pyridin-2-yl]phenyl]-trimethylgermane
CID 168743416
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
CID 171718251
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
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-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine
CID 171718247
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine
CID 171718340
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-6-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
CID 171718328
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine
CID 171718708
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
CID 170660593
15-(4-tert-butylnaphthalen-2-yl)-17-oxa-6,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581179
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-5-yl)furo[3,2-c]pyridine
CID 171718181

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine (CID 171717514) is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine is Cc1csc2cc(-c3oc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4c3C)ccc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine?
The InChIKey is IODHRSZWLNEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NOS/c1-18-17-34-27-16-21(10-11-23(18)27)29-19(2)24-12-13-32-28(30(24)33-29)22-14-20-8-6-7-9-25(20)26(15-22)31(3,4)5/h6-17H,1-5H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[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-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine is sourced from PubChem (CID 171717514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).