6-methyl-2,3-diphenyl-1-benzothiophene

C21H16S — CID 13027057

IUPAC6-methyl-2,3-diphenyl-1-benzothiophene
SMILESCc1ccc2c(-c3ccccc3)c(-c3ccccc3)sc2c1
InChIInChI=1S/C21H16S/c1-15-12-13-18-19(14-15)22-21(17-10-6-3-7-11-17)20(18)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyIASIRINYAJXSAS-UHFFFAOYSA-N
MW300.43 g/mol
LogP6.54
Rot. Bonds2

About 6-methyl-2,3-diphenyl-1-benzothiophene

6-methyl-2,3-diphenyl-1-benzothiophene (PubChem CID 13027057) has the molecular formula C21H16S and a molecular weight of 300.43 g/mol. Its IUPAC name is 6-methyl-2,3-diphenyl-1-benzothiophene.

Molecular Properties

Compound Name6-methyl-2,3-diphenyl-1-benzothiophene
PubChem CID13027057
Molecular FormulaC21H16S
Molecular Weight300.43 g/mol
Exact Mass300.10
IUPAC Name6-methyl-2,3-diphenyl-1-benzothiophene
SMILESCc1ccc2c(-c3ccccc3)c(-c3ccccc3)sc2c1
InChIInChI=1S/C21H16S/c1-15-12-13-18-19(14-15)22-21(17-10-6-3-7-11-17)20(18)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyIASIRINYAJXSAS-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(9,10-diphenylanthracen-2-yl)-2,3-bis(4-methylphenyl)-1-benzothiophene
CID 59012338
6-methoxy-2,3-diphenyl-1-benzothiophene
CID 13013583
3,7-diphenyl-2,6-bis(4-phenylphenyl)thieno[2,3-f][1]benzothiole
CID 126653606
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
2,3-diphenyl-6-(3-phenylphenyl)thieno[3,2-c]pyridine
CID 155626281
5-chloro-2,3-diphenyl-1-benzothiophene
CID 13027063
5-bromo-2,3-diphenyl-1-benzothiophene
CID 13027064
6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene
CID 58898587
2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole
CID 142748705
9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole
CID 175976686
5-(6-bromo-3-phenyl-1-benzothiophen-2-yl)-3-methyl-1,2,4-oxadiazole
CID 143404702

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-diphenyl-1-benzothiophene?
The IUPAC name of 6-methyl-2,3-diphenyl-1-benzothiophene (CID 13027057) is 6-methyl-2,3-diphenyl-1-benzothiophene.
What is the SMILES notation for 6-methyl-2,3-diphenyl-1-benzothiophene?
The canonical SMILES for 6-methyl-2,3-diphenyl-1-benzothiophene is Cc1ccc2c(-c3ccccc3)c(-c3ccccc3)sc2c1.
What is the InChIKey of 6-methyl-2,3-diphenyl-1-benzothiophene?
The InChIKey is IASIRINYAJXSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16S/c1-15-12-13-18-19(14-15)22-21(17-10-6-3-7-11-17)20(18)16-8-4-2-5-9-16/h2-14H,1H3.
What are the key properties of 6-methyl-2,3-diphenyl-1-benzothiophene?
6-methyl-2,3-diphenyl-1-benzothiophene has a molecular weight of 300.43 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-diphenyl-1-benzothiophene is sourced from PubChem (CID 13027057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).