4,6-dimethyl-2,3,5-triphenyl-1-benzofuran

C28H22O — CID 102583822

IUPAC4,6-dimethyl-2,3,5-triphenyl-1-benzofuran
SMILESCc1cc2oc(-c3ccccc3)c(-c3ccccc3)c2c(C)c1-c1ccccc1
InChIInChI=1S/C28H22O/c1-19-18-24-26(20(2)25(19)21-12-6-3-7-13-21)27(22-14-8-4-9-15-22)28(29-24)23-16-10-5-11-17-23/h3-18H,1-2H3
InChIKeyOVQPNDFUHRMNIP-UHFFFAOYSA-N
MW374.48 g/mol
LogP8.05
Rot. Bonds3

About 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran

4,6-dimethyl-2,3,5-triphenyl-1-benzofuran (PubChem CID 102583822) has the molecular formula C28H22O and a molecular weight of 374.48 g/mol. Its IUPAC name is 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran.

Molecular Properties

Compound Name4,6-dimethyl-2,3,5-triphenyl-1-benzofuran
PubChem CID102583822
Molecular FormulaC28H22O
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name4,6-dimethyl-2,3,5-triphenyl-1-benzofuran
SMILESCc1cc2oc(-c3ccccc3)c(-c3ccccc3)c2c(C)c1-c1ccccc1
InChIInChI=1S/C28H22O/c1-19-18-24-26(20(2)25(19)21-12-6-3-7-13-21)27(22-14-8-4-9-15-22)28(29-24)23-16-10-5-11-17-23/h3-18H,1-2H3
InChIKeyOVQPNDFUHRMNIP-UHFFFAOYSA-N
XLogP8.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran 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

5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one
CID 6540169
3,4,6-trimethyl-2-phenyl-1-benzofuran
CID 134310059
5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one
CID 71549486
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one
CID 14916297
N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
CID 6540216
2-(1,2-diphenylbenzo[e][1]benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176753870
2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
CID 72545234
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran
CID 134310060
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran
CID 11428312
1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran
CID 155597210

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran?
The IUPAC name of 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran (CID 102583822) is 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran.
What is the SMILES notation for 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran?
The canonical SMILES for 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran is Cc1cc2oc(-c3ccccc3)c(-c3ccccc3)c2c(C)c1-c1ccccc1.
What is the InChIKey of 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran?
The InChIKey is OVQPNDFUHRMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O/c1-19-18-24-26(20(2)25(19)21-12-6-3-7-13-21)27(22-14-8-4-9-15-22)28(29-24)23-16-10-5-11-17-23/h3-18H,1-2H3.
What are the key properties of 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran?
4,6-dimethyl-2,3,5-triphenyl-1-benzofuran has a molecular weight of 374.48 g/mol, XLogP of 8.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,3,5-triphenyl-1-benzofuran is sourced from PubChem (CID 102583822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).