7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran

C31H28O — CID 4262763

IUPAC7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran
SMILESCC(C)(C)c1coc2c(Cc3ccccc3)c(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C31H28O/c1-31(2,3)28-21-32-30-27(19-22-13-7-4-8-14-22)25(23-15-9-5-10-16-23)20-26(29(28)30)24-17-11-6-12-18-24/h4-18,20-21H,19H2,1-3H3
InChIKeyYOYUJYCEGIKDTM-UHFFFAOYSA-N
MW416.56 g/mol
LogP8.66
Rot. Bonds4

About 7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran

7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran (PubChem CID 4262763) has the molecular formula C31H28O and a molecular weight of 416.56 g/mol. Its IUPAC name is 7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran.

Molecular Properties

Compound Name7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran
PubChem CID4262763
Molecular FormulaC31H28O
Molecular Weight416.56 g/mol
Exact Mass416.21
IUPAC Name7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran
SMILESCC(C)(C)c1coc2c(Cc3ccccc3)c(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C31H28O/c1-31(2,3)28-21-32-30-27(19-22-13-7-4-8-14-22)25(23-15-9-5-10-16-23)20-26(29(28)30)24-17-11-6-12-18-24/h4-18,20-21H,19H2,1-3H3
InChIKeyYOYUJYCEGIKDTM-UHFFFAOYSA-N
XLogP8.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran?
The IUPAC name of 7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran (CID 4262763) is 7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran.
What is the SMILES notation for 7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran?
The canonical SMILES for 7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran is CC(C)(C)c1coc2c(Cc3ccccc3)c(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of 7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran?
The InChIKey is YOYUJYCEGIKDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O/c1-31(2,3)28-21-32-30-27(19-22-13-7-4-8-14-22)25(23-15-9-5-10-16-23)20-26(29(28)30)24-17-11-6-12-18-24/h4-18,20-21H,19H2,1-3H3.
What are the key properties of 7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran?
7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran has a molecular weight of 416.56 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-tert-butyl-4,6-diphenyl-1-benzofuran is sourced from PubChem (CID 4262763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).