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

C25H18S — CID 146397381

IUPAC4-(3-methyl-4-phenylphenyl)dibenzothiophene
SMILESCc1cc(-c2cccc3c2sc2ccccc23)ccc1-c1ccccc1
InChIInChI=1S/C25H18S/c1-17-16-19(14-15-20(17)18-8-3-2-4-9-18)21-11-7-12-23-22-10-5-6-13-24(22)26-25(21)23/h2-16H,1H3
InChIKeyZSPGNFKPFAXLQL-UHFFFAOYSA-N
MW350.49 g/mol
LogP7.70
Rot. Bonds2

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

4-(3-methyl-4-phenylphenyl)dibenzothiophene (PubChem CID 146397381) has the molecular formula C25H18S and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-(3-methyl-4-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(3-methyl-4-phenylphenyl)dibenzothiophene
PubChem CID146397381
Molecular FormulaC25H18S
Molecular Weight350.49 g/mol
Exact Mass350.11
IUPAC Name4-(3-methyl-4-phenylphenyl)dibenzothiophene
SMILESCc1cc(-c2cccc3c2sc2ccccc23)ccc1-c1ccccc1
InChIInChI=1S/C25H18S/c1-17-16-19(14-15-20(17)18-8-3-2-4-9-18)21-11-7-12-23-22-10-5-6-13-24(22)26-25(21)23/h2-16H,1H3
InChIKeyZSPGNFKPFAXLQL-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

4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[4-[3-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenyl]-2,5-dimethylphenyl]dibenzothiophene
CID 59386402
4-(3-methylphenyl)dibenzothiophene;4-methyl-6-phenyldibenzothiophene;4-(3-methylphenyl)-6-phenyldibenzothiophene;4-(4-methylphenyl)-6-phenyldibenzothiophene;4-methyl-6-(4-phenylphenyl)dibenzothiophene;4-(3-methylphenyl)-6-(4-phenylphenyl)dibenzothiophene
CID 163715242
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 161498308
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-phenylphenyl)dibenzothiophene?
The IUPAC name of 4-(3-methyl-4-phenylphenyl)dibenzothiophene (CID 146397381) is 4-(3-methyl-4-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 4-(3-methyl-4-phenylphenyl)dibenzothiophene?
The canonical SMILES for 4-(3-methyl-4-phenylphenyl)dibenzothiophene is Cc1cc(-c2cccc3c2sc2ccccc23)ccc1-c1ccccc1.
What is the InChIKey of 4-(3-methyl-4-phenylphenyl)dibenzothiophene?
The InChIKey is ZSPGNFKPFAXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18S/c1-17-16-19(14-15-20(17)18-8-3-2-4-9-18)21-11-7-12-23-22-10-5-6-13-24(22)26-25(21)23/h2-16H,1H3.
What are the key properties of 4-(3-methyl-4-phenylphenyl)dibenzothiophene?
4-(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 4-(3-methyl-4-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 146397381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).