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

C31H27NOS — CID 171718340

IUPAC4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine
SMILESCc1cc2cc(-c3oc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4c3C)ccc2s1
InChIInChI=1S/C31H27NOS/c1-18-14-22-16-21(10-11-27(22)34-18)30-19(2)28-26(33-30)12-13-32-29(28)23-15-20-8-6-7-9-24(20)25(17-23)31(3,4)5/h6-17H,1-5H3
InChIKeyPVCZORRNHZXLHL-UHFFFAOYSA-N
MW461.63 g/mol
LogP9.44
Rot. Bonds2

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

4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine (PubChem CID 171718340) has the molecular formula C31H27NOS and a molecular weight of 461.63 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine
PubChem CID171718340
Molecular FormulaC31H27NOS
Molecular Weight461.63 g/mol
Exact Mass461.18
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine
SMILESCc1cc2cc(-c3oc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4c3C)ccc2s1
InChIInChI=1S/C31H27NOS/c1-18-14-22-16-21(10-11-27(22)34-18)30-19(2)28-26(33-30)12-13-32-29(28)23-15-20-8-6-7-9-24(20)25(17-23)31(3,4)5/h6-17H,1-5H3
InChIKeyPVCZORRNHZXLHL-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

4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-5-yl)furo[3,2-c]pyridine
CID 171718181
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
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
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-6-yl)thieno[3,2-c]pyridine
CID 171717516
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine
CID 171718233
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[5-(2-methylpropyl)-1-benzothiophen-3-yl]furo[3,2-c]pyridine
CID 171718091
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
CID 170660593
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[3,2-c]pyridine
CID 171764358
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)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
CID 171718251
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
2-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-c]pyridine
CID 171717712

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine?
The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine (CID 171718340) is 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine is Cc1cc2cc(-c3oc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4c3C)ccc2s1.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine?
The InChIKey is PVCZORRNHZXLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NOS/c1-18-14-22-16-21(10-11-27(22)34-18)30-19(2)28-26(33-30)12-13-32-29(28)23-15-20-8-6-7-9-24(20)25(17-23)31(3,4)5/h6-17H,1-5H3.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine?
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-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 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine is sourced from PubChem (CID 171718340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).