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

C30H25NO2 — CID 171718045

IUPAC7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine
SMILESCc1oc2ccccc2c1-c1cc2ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2o1
InChIInChI=1S/C30H25NO2/c1-18-27(23-11-7-8-12-25(23)32-18)26-17-20-13-14-31-28(29(20)33-26)21-15-19-9-5-6-10-22(19)24(16-21)30(2,3)4/h5-17H,1-4H3
InChIKeyVSYLZJKUKKEYOF-UHFFFAOYSA-N
MW431.54 g/mol
LogP8.67
Rot. Bonds2

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

7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine (PubChem CID 171718045) has the molecular formula C30H25NO2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine
PubChem CID171718045
Molecular FormulaC30H25NO2
Molecular Weight431.54 g/mol
Exact Mass431.19
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine
SMILESCc1oc2ccccc2c1-c1cc2ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2o1
InChIInChI=1S/C30H25NO2/c1-18-27(23-11-7-8-12-25(23)32-18)26-17-20-13-14-31-28(29(20)33-26)21-15-19-9-5-6-10-22(19)24(16-21)30(2,3)4/h5-17H,1-4H3
InChIKeyVSYLZJKUKKEYOF-UHFFFAOYSA-N
XLogP8.67
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
CID 171718138
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-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016
7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
CID 170660676
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylfuro[2,3-c]pyridine
CID 171717900
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
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)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine
CID 171718587
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
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)-3-methyl-2-[2-methyl-6-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
CID 171718328

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine (CID 171718045) is 7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine is Cc1oc2ccccc2c1-c1cc2ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2o1.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine?
The InChIKey is VSYLZJKUKKEYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO2/c1-18-27(23-11-7-8-12-25(23)32-18)26-17-20-13-14-31-28(29(20)33-26)21-15-19-9-5-6-10-22(19)24(16-21)30(2,3)4/h5-17H,1-4H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine has a molecular weight of 431.54 g/mol, XLogP of 8.67, 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)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine is sourced from PubChem (CID 171718045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).