1-(3-methyl-4-phenylphenyl)dibenzothiophene

C25H18S — CID 146397546

IUPAC1-(3-methyl-4-phenylphenyl)dibenzothiophene
SMILESCc1cc(-c2cccc3sc4ccccc4c23)ccc1-c1ccccc1
InChIInChI=1S/C25H18S/c1-17-16-19(14-15-20(17)18-8-3-2-4-9-18)21-11-7-13-24-25(21)22-10-5-6-12-23(22)26-24/h2-16H,1H3
InChIKeyDYZWKQANUOOHNH-UHFFFAOYSA-N
MW350.49 g/mol
LogP7.70
Rot. Bonds2

About 1-(3-methyl-4-phenylphenyl)dibenzothiophene

1-(3-methyl-4-phenylphenyl)dibenzothiophene (PubChem CID 146397546) has the molecular formula C25H18S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-(3-methyl-4-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name1-(3-methyl-4-phenylphenyl)dibenzothiophene
PubChem CID146397546
Molecular FormulaC25H18S
Molecular Weight350.49 g/mol
Exact Mass350.11
IUPAC Name1-(3-methyl-4-phenylphenyl)dibenzothiophene
SMILESCc1cc(-c2cccc3sc4ccccc4c23)ccc1-c1ccccc1
InChIInChI=1S/C25H18S/c1-17-16-19(14-15-20(17)18-8-3-2-4-9-18)21-11-7-13-24-25(21)22-10-5-6-12-23(22)26-24/h2-16H,1H3
InChIKeyDYZWKQANUOOHNH-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-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
1-phenyldibenzothiophene;hydrobromide
CID 174679709
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
3-dibenzothiophen-1-yl-1-[4-(3,4-diphenylphenyl)phenyl]dibenzothiophene
CID 165093475
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
1-(4-fluorophenyl)dibenzothiophene
CID 21111722
1-(4-methylnaphthalen-1-yl)dibenzothiophene
CID 156896766
1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 145331799
2-(4-dibenzothiophen-1-ylphenyl)-4-methyl-6-phenylpyrimidine
CID 148637654

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenylphenyl)dibenzothiophene?
The IUPAC name of 1-(3-methyl-4-phenylphenyl)dibenzothiophene (CID 146397546) is 1-(3-methyl-4-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 1-(3-methyl-4-phenylphenyl)dibenzothiophene?
The canonical SMILES for 1-(3-methyl-4-phenylphenyl)dibenzothiophene is Cc1cc(-c2cccc3sc4ccccc4c23)ccc1-c1ccccc1.
What is the InChIKey of 1-(3-methyl-4-phenylphenyl)dibenzothiophene?
The InChIKey is DYZWKQANUOOHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18S/c1-17-16-19(14-15-20(17)18-8-3-2-4-9-18)21-11-7-13-24-25(21)22-10-5-6-12-23(22)26-24/h2-16H,1H3.
What are the key properties of 1-(3-methyl-4-phenylphenyl)dibenzothiophene?
1-(3-methyl-4-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 1-(3-methyl-4-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 146397546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).