3-(2-methyl-3-phenylphenyl)dibenzothiophene

C25H18S — CID 146397483

IUPAC3-(2-methyl-3-phenylphenyl)dibenzothiophene
SMILESCc1c(-c2ccccc2)cccc1-c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C25H18S/c1-17-20(18-8-3-2-4-9-18)11-7-12-21(17)19-14-15-23-22-10-5-6-13-24(22)26-25(23)16-19/h2-16H,1H3
InChIKeySTEJLNLYQQQZED-UHFFFAOYSA-N
MW350.49 g/mol
LogP7.70
Rot. Bonds2

About 3-(2-methyl-3-phenylphenyl)dibenzothiophene

3-(2-methyl-3-phenylphenyl)dibenzothiophene (PubChem CID 146397483) has the molecular formula C25H18S and a molecular weight of 350.49 g/mol. Its IUPAC name is 3-(2-methyl-3-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name3-(2-methyl-3-phenylphenyl)dibenzothiophene
PubChem CID146397483
Molecular FormulaC25H18S
Molecular Weight350.49 g/mol
Exact Mass350.11
IUPAC Name3-(2-methyl-3-phenylphenyl)dibenzothiophene
SMILESCc1c(-c2ccccc2)cccc1-c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C25H18S/c1-17-20(18-8-3-2-4-9-18)11-7-12-21(17)19-14-15-23-22-10-5-6-13-24(22)26-25(23)16-19/h2-16H,1H3
InChIKeySTEJLNLYQQQZED-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

3-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzothiophene
CID 118516709
2-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591
3-[5-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphthalen-1-yl]dibenzothiophene;3-[4-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)phenyl]dibenzothiophene;3-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)phenyl]dibenzothiophene
CID 161422968
N-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159692895
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
(2-dibenzothiophen-3-ylphenyl)boronic acid
CID 142752826
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942654
4-[3-dibenzothiophen-3-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171584456
N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170140442

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-phenylphenyl)dibenzothiophene?
The IUPAC name of 3-(2-methyl-3-phenylphenyl)dibenzothiophene (CID 146397483) is 3-(2-methyl-3-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 3-(2-methyl-3-phenylphenyl)dibenzothiophene?
The canonical SMILES for 3-(2-methyl-3-phenylphenyl)dibenzothiophene is Cc1c(-c2ccccc2)cccc1-c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of 3-(2-methyl-3-phenylphenyl)dibenzothiophene?
The InChIKey is STEJLNLYQQQZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18S/c1-17-20(18-8-3-2-4-9-18)11-7-12-21(17)19-14-15-23-22-10-5-6-13-24(22)26-25(23)16-19/h2-16H,1H3.
What are the key properties of 3-(2-methyl-3-phenylphenyl)dibenzothiophene?
3-(2-methyl-3-phenylphenyl)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 3-(2-methyl-3-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 146397483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).