4-methyl-2,6,8-triphenyldibenzofuran

C31H22O — CID 71273276

IUPAC4-methyl-2,6,8-triphenyldibenzofuran
SMILESCc1cc(-c2ccccc2)cc2c1oc1c(-c3ccccc3)cc(-c3ccccc3)cc12
InChIInChI=1S/C31H22O/c1-21-17-25(22-11-5-2-6-12-22)19-28-29-20-26(23-13-7-3-8-14-23)18-27(31(29)32-30(21)28)24-15-9-4-10-16-24/h2-20H,1H3
InChIKeyYGTOYAWTIYBSEF-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.90
Rot. Bonds3

About 4-methyl-2,6,8-triphenyldibenzofuran

4-methyl-2,6,8-triphenyldibenzofuran (PubChem CID 71273276) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-methyl-2,6,8-triphenyldibenzofuran.

Molecular Properties

Compound Name4-methyl-2,6,8-triphenyldibenzofuran
PubChem CID71273276
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Name4-methyl-2,6,8-triphenyldibenzofuran
SMILESCc1cc(-c2ccccc2)cc2c1oc1c(-c3ccccc3)cc(-c3ccccc3)cc12
InChIInChI=1S/C31H22O/c1-21-17-25(22-11-5-2-6-12-22)19-28-29-20-26(23-13-7-3-8-14-23)18-27(31(29)32-30(21)28)24-15-9-4-10-16-24/h2-20H,1H3
InChIKeyYGTOYAWTIYBSEF-UHFFFAOYSA-N
XLogP8.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6,8-triphenyldibenzofuran?
The IUPAC name of 4-methyl-2,6,8-triphenyldibenzofuran (CID 71273276) is 4-methyl-2,6,8-triphenyldibenzofuran.
What is the SMILES notation for 4-methyl-2,6,8-triphenyldibenzofuran?
The canonical SMILES for 4-methyl-2,6,8-triphenyldibenzofuran is Cc1cc(-c2ccccc2)cc2c1oc1c(-c3ccccc3)cc(-c3ccccc3)cc12.
What is the InChIKey of 4-methyl-2,6,8-triphenyldibenzofuran?
The InChIKey is YGTOYAWTIYBSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O/c1-21-17-25(22-11-5-2-6-12-22)19-28-29-20-26(23-13-7-3-8-14-23)18-27(31(29)32-30(21)28)24-15-9-4-10-16-24/h2-20H,1H3.
What are the key properties of 4-methyl-2,6,8-triphenyldibenzofuran?
4-methyl-2,6,8-triphenyldibenzofuran has a molecular weight of 410.52 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6,8-triphenyldibenzofuran is sourced from PubChem (CID 71273276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).