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

Analyze 4-methyl-2,6,8-triphenyldibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,8-triphenyl-6-[6-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran
CID 158206034
2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran
CID 158117088
2,4,6,8-tetraphenyldibenzofuran-1-ol
CID 101377817
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
1-methyl-2-[3-methyl-8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridin-1-ium
CID 164760404
8,10-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171752030
10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 159699923
2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran
CID 123626213
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164838374
4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline
CID 164934450
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018

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).