7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine

C35H35NOS — CID 171718251

IUPAC7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
SMILESCc1sc2ccc(-c3oc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4c3C)cc2c1CC(C)C
InChIInChI=1S/C35H35NOS/c1-20(2)16-28-22(4)38-31-13-12-24(18-29(28)31)33-21(3)26-14-15-36-32(34(26)37-33)25-17-23-10-8-9-11-27(23)30(19-25)35(5,6)7/h8-15,17-20H,16H2,1-7H3
InChIKeyQIVUVZDYEXDRHC-UHFFFAOYSA-N
MW517.74 g/mol
LogP10.64
Rot. Bonds4

About 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine (PubChem CID 171718251) has the molecular formula C35H35NOS and a molecular weight of 517.74 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
PubChem CID171718251
Molecular FormulaC35H35NOS
Molecular Weight517.74 g/mol
Exact Mass517.24
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
SMILESCc1sc2ccc(-c3oc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4c3C)cc2c1CC(C)C
InChIInChI=1S/C35H35NOS/c1-20(2)16-28-22(4)38-31-13-12-24(18-29(28)31)33-21(3)26-14-15-36-32(34(26)37-33)25-17-23-10-8-9-11-27(23)30(19-25)35(5,6)7/h8-15,17-20H,16H2,1-7H3
InChIKeyQIVUVZDYEXDRHC-UHFFFAOYSA-N
XLogP10.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.74
LogP ≤ 510.64
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-benzothiophen-5-yl]furo[2,3-c]pyridine
CID 171718551
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]thieno[3,2-c]pyridine
CID 171717855
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)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine
CID 171718566
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-6-yl)furo[2,3-c]pyridine
CID 171717514
[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-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine
CID 171718708
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine
CID 171717754
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
4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine
CID 171718083
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine
CID 171717934

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine?
The IUPAC name of 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) is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine is Cc1sc2ccc(-c3oc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4c3C)cc2c1CC(C)C.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine?
The InChIKey is QIVUVZDYEXDRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35NOS/c1-20(2)16-28-22(4)38-31-13-12-24(18-29(28)31)33-21(3)26-14-15-36-32(34(26)37-33)25-17-23-10-8-9-11-27(23)30(19-25)35(5,6)7/h8-15,17-20H,16H2,1-7H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine has a molecular weight of 517.74 g/mol, XLogP of 10.64, 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)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine is sourced from PubChem (CID 171718251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).