1-[3-(2-methylphenyl)phenyl]dibenzothiophene

C25H18S — CID 146397329

IUPAC1-[3-(2-methylphenyl)phenyl]dibenzothiophene
SMILESCc1ccccc1-c1cccc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C25H18S/c1-17-8-2-3-11-20(17)18-9-6-10-19(16-18)21-13-7-15-24-25(21)22-12-4-5-14-23(22)26-24/h2-16H,1H3
InChIKeyLGIFLYZAPPTKKT-UHFFFAOYSA-N
MW350.49 g/mol
LogP7.70
Rot. Bonds2

About 1-[3-(2-methylphenyl)phenyl]dibenzothiophene

1-[3-(2-methylphenyl)phenyl]dibenzothiophene (PubChem CID 146397329) has the molecular formula C25H18S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-[3-(2-methylphenyl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name1-[3-(2-methylphenyl)phenyl]dibenzothiophene
PubChem CID146397329
Molecular FormulaC25H18S
Molecular Weight350.49 g/mol
Exact Mass350.11
IUPAC Name1-[3-(2-methylphenyl)phenyl]dibenzothiophene
SMILESCc1ccccc1-c1cccc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C25H18S/c1-17-8-2-3-11-20(17)18-9-6-10-19(16-18)21-13-7-15-24-25(21)22-12-4-5-14-23(22)26-24/h2-16H,1H3
InChIKeyLGIFLYZAPPTKKT-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
1-phenyldibenzothiophene;hydrobromide
CID 174679709
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene
CID 170133675
1-methyldibenzothiophene
CID 23839
4,6-bis(3-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine
CID 139304929
1-(3-chloro-5-phenylphenyl)dibenzothiophene
CID 175911263
9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole
CID 155628000
2,4-bis(3-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139304118
1-(4-methylnaphthalen-1-yl)dibenzothiophene
CID 156896766
10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole
CID 142568734
4-(3-dibenzothiophen-1-ylphenyl)-6-(3-dibenzothiophen-1-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583431

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenyl)phenyl]dibenzothiophene?
The IUPAC name of 1-[3-(2-methylphenyl)phenyl]dibenzothiophene (CID 146397329) is 1-[3-(2-methylphenyl)phenyl]dibenzothiophene.
What is the SMILES notation for 1-[3-(2-methylphenyl)phenyl]dibenzothiophene?
The canonical SMILES for 1-[3-(2-methylphenyl)phenyl]dibenzothiophene is Cc1ccccc1-c1cccc(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 1-[3-(2-methylphenyl)phenyl]dibenzothiophene?
The InChIKey is LGIFLYZAPPTKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18S/c1-17-8-2-3-11-20(17)18-9-6-10-19(16-18)21-13-7-15-24-25(21)22-12-4-5-14-23(22)26-24/h2-16H,1H3.
What are the key properties of 1-[3-(2-methylphenyl)phenyl]dibenzothiophene?
1-[3-(2-methylphenyl)phenyl]dibenzothiophene has a molecular weight of 350.49 g/mol, XLogP of 7.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenyl)phenyl]dibenzothiophene is sourced from PubChem (CID 146397329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).