5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran

C24H26O2 — CID 102492573

IUPAC5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran
SMILESCC(C)(C)c1ccc2oc(-c3cc4cc(C(C)(C)C)ccc4o3)cc2c1
InChIInChI=1S/C24H26O2/c1-23(2,3)17-7-9-19-15(11-17)13-21(25-19)22-14-16-12-18(24(4,5)6)8-10-20(16)26-22/h7-14H,1-6H3
InChIKeyCCDOOMWFYYRYQL-UHFFFAOYSA-N
MW346.47 g/mol
LogP7.44
Rot. Bonds1

About 5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran

5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran (PubChem CID 102492573) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran.

Molecular Properties

Compound Name5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran
PubChem CID102492573
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran
SMILESCC(C)(C)c1ccc2oc(-c3cc4cc(C(C)(C)C)ccc4o3)cc2c1
InChIInChI=1S/C24H26O2/c1-23(2,3)17-7-9-19-15(11-17)13-21(25-19)22-14-16-12-18(24(4,5)6)8-10-20(16)26-22/h7-14H,1-6H3
InChIKeyCCDOOMWFYYRYQL-UHFFFAOYSA-N
XLogP7.44
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran?
The IUPAC name of 5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran (CID 102492573) is 5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran.
What is the SMILES notation for 5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran?
The canonical SMILES for 5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran is CC(C)(C)c1ccc2oc(-c3cc4cc(C(C)(C)C)ccc4o3)cc2c1.
What is the InChIKey of 5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran?
The InChIKey is CCDOOMWFYYRYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-23(2,3)17-7-9-19-15(11-17)13-21(25-19)22-14-16-12-18(24(4,5)6)8-10-20(16)26-22/h7-14H,1-6H3.
What are the key properties of 5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran?
5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran has a molecular weight of 346.47 g/mol, XLogP of 7.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran is sourced from PubChem (CID 102492573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).