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

C35H35NO2 — CID 171717754

IUPAC4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine
SMILESCc1oc2ccc(-c3oc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4c3C)cc2c1CC(C)C
InChIInChI=1S/C35H35NO2/c1-20(2)16-27-22(4)37-30-13-12-24(18-28(27)30)34-21(3)32-31(38-34)14-15-36-33(32)25-17-23-10-8-9-11-26(23)29(19-25)35(5,6)7/h8-15,17-20H,16H2,1-7H3
InChIKeyZIVBJMYIUWTPPK-UHFFFAOYSA-N
MW501.67 g/mol
LogP10.17
Rot. Bonds4

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

4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine (PubChem CID 171717754) has the molecular formula C35H35NO2 and a molecular weight of 501.67 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine
PubChem CID171717754
Molecular FormulaC35H35NO2
Molecular Weight501.67 g/mol
Exact Mass501.27
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine
SMILESCc1oc2ccc(-c3oc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4c3C)cc2c1CC(C)C
InChIInChI=1S/C35H35NO2/c1-20(2)16-27-22(4)37-30-13-12-24(18-28(27)30)34-21(3)32-31(38-34)14-15-36-33(32)25-17-23-10-8-9-11-26(23)29(19-25)35(5,6)7/h8-15,17-20H,16H2,1-7H3
InChIKeyZIVBJMYIUWTPPK-UHFFFAOYSA-N
XLogP10.17
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine
CID 171718083
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-1-benzothiophen-5-yl)furo[3,2-c]pyridine
CID 171718340
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-[2-methyl-3-(2-methylpropyl)-1-benzofuran-6-yl]thieno[2,3-c]pyridine
CID 171718089
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
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-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
CID 171718138
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
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)-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
CID 171718551

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine?
The IUPAC name of 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) is 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine is Cc1oc2ccc(-c3oc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4c3C)cc2c1CC(C)C.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine?
The InChIKey is ZIVBJMYIUWTPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35NO2/c1-20(2)16-27-22(4)37-30-13-12-24(18-28(27)30)34-21(3)32-31(38-34)14-15-36-33(32)25-17-23-10-8-9-11-26(23)29(19-25)35(5,6)7/h8-15,17-20H,16H2,1-7H3.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine?
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine has a molecular weight of 501.67 g/mol, XLogP of 10.17, 4 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-3-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine is sourced from PubChem (CID 171717754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).