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

C34H33NO2 — CID 171718138

IUPAC7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
SMILESCc1oc2ccc(CC(C)C)cc2c1-c1cc2ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2o1
InChIInChI=1S/C34H33NO2/c1-20(2)15-22-11-12-29-27(16-22)31(21(3)36-29)30-19-24-13-14-35-32(33(24)37-30)25-17-23-9-7-8-10-26(23)28(18-25)34(4,5)6/h7-14,16-20H,15H2,1-6H3
InChIKeyRUNPNTKOOLDMIZ-UHFFFAOYSA-N
MW487.64 g/mol
LogP9.87
Rot. Bonds4

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

7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine (PubChem CID 171718138) has the molecular formula C34H33NO2 and a molecular weight of 487.64 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
PubChem CID171718138
Molecular FormulaC34H33NO2
Molecular Weight487.64 g/mol
Exact Mass487.25
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
SMILESCc1oc2ccc(CC(C)C)cc2c1-c1cc2ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2o1
InChIInChI=1S/C34H33NO2/c1-20(2)15-22-11-12-29-27(16-22)31(21(3)36-29)30-19-24-13-14-35-32(33(24)37-30)25-17-23-9-7-8-10-26(23)28(18-25)34(4,5)6/h7-14,16-20H,15H2,1-6H3
InChIKeyRUNPNTKOOLDMIZ-UHFFFAOYSA-N
XLogP9.87
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-methyl-6-(2-methylpropyl)-1-benzothiophen-3-yl]furo[2,3-c]pyridine
CID 171717652
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
1-(4-tert-butylnaphthalen-2-yl)-7-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine
CID 154599340
4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-6-(2-methylpropyl)-1-benzofuran-3-yl]thieno[3,2-c]pyridine
CID 171717527
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-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
CID 171718551
7-(4-tert-butylnaphthalen-2-yl)-2-[5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[2,3-c]pyridine
CID 171718506
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016
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
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[5-(2-methylpropyl)-1-benzothiophen-3-yl]furo[3,2-c]pyridine
CID 171718091
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

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine (CID 171718138) is 7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine is Cc1oc2ccc(CC(C)C)cc2c1-c1cc2ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2o1.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine?
The InChIKey is RUNPNTKOOLDMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO2/c1-20(2)15-22-11-12-29-27(16-22)31(21(3)36-29)30-19-24-13-14-35-32(33(24)37-30)25-17-23-9-7-8-10-26(23)28(18-25)34(4,5)6/h7-14,16-20H,15H2,1-6H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine has a molecular weight of 487.64 g/mol, XLogP of 9.87, 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)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine is sourced from PubChem (CID 171718138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).