4-(3-methyl-5-phenylphenyl)dibenzothiophene

C25H18S — CID 129266975

IUPAC4-(3-methyl-5-phenylphenyl)dibenzothiophene
SMILESCc1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C25H18S/c1-17-14-19(18-8-3-2-4-9-18)16-20(15-17)21-11-7-12-23-22-10-5-6-13-24(22)26-25(21)23/h2-16H,1H3
InChIKeyANTZUISISHBPPV-UHFFFAOYSA-N
MW350.49 g/mol
LogP7.70
Rot. Bonds2

About 4-(3-methyl-5-phenylphenyl)dibenzothiophene

4-(3-methyl-5-phenylphenyl)dibenzothiophene (PubChem CID 129266975) has the molecular formula C25H18S and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-(3-methyl-5-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(3-methyl-5-phenylphenyl)dibenzothiophene
PubChem CID129266975
Molecular FormulaC25H18S
Molecular Weight350.49 g/mol
Exact Mass350.11
IUPAC Name4-(3-methyl-5-phenylphenyl)dibenzothiophene
SMILESCc1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C25H18S/c1-17-14-19(18-8-3-2-4-9-18)16-20(15-17)21-11-7-12-23-22-10-5-6-13-24(22)26-25(21)23/h2-16H,1H3
InChIKeyANTZUISISHBPPV-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-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-(3-bromo-5-phenylphenyl)dibenzothiophene
CID 142380549
4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
CID 59133620
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
3-[3,5-di(dibenzothiophen-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354722
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 121261297
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
CID 59133526
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-phenylphenyl)dibenzothiophene?
The IUPAC name of 4-(3-methyl-5-phenylphenyl)dibenzothiophene (CID 129266975) is 4-(3-methyl-5-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 4-(3-methyl-5-phenylphenyl)dibenzothiophene?
The canonical SMILES for 4-(3-methyl-5-phenylphenyl)dibenzothiophene is Cc1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 4-(3-methyl-5-phenylphenyl)dibenzothiophene?
The InChIKey is ANTZUISISHBPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18S/c1-17-14-19(18-8-3-2-4-9-18)16-20(15-17)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-5-phenylphenyl)dibenzothiophene?
4-(3-methyl-5-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-5-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 129266975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).