4-(3-methylphenyl)-1-phenyldibenzothiophene

C25H18S — CID 129266942

IUPAC4-(3-methylphenyl)-1-phenyldibenzothiophene
SMILESCc1cccc(-c2ccc(-c3ccccc3)c3c2sc2ccccc23)c1
InChIInChI=1S/C25H18S/c1-17-8-7-11-19(16-17)21-15-14-20(18-9-3-2-4-10-18)24-22-12-5-6-13-23(22)26-25(21)24/h2-16H,1H3
InChIKeyJLWDGJBPARFAFB-UHFFFAOYSA-N
MW350.49 g/mol
LogP7.70
Rot. Bonds2

About 4-(3-methylphenyl)-1-phenyldibenzothiophene

4-(3-methylphenyl)-1-phenyldibenzothiophene (PubChem CID 129266942) has the molecular formula C25H18S and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-phenyldibenzothiophene.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-phenyldibenzothiophene
PubChem CID129266942
Molecular FormulaC25H18S
Molecular Weight350.49 g/mol
Exact Mass350.11
IUPAC Name4-(3-methylphenyl)-1-phenyldibenzothiophene
SMILESCc1cccc(-c2ccc(-c3ccccc3)c3c2sc2ccccc23)c1
InChIInChI=1S/C25H18S/c1-17-8-7-11-19(16-17)21-15-14-20(18-9-3-2-4-10-18)24-22-12-5-6-13-23(22)26-25(21)24/h2-16H,1H3
InChIKeyJLWDGJBPARFAFB-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

1,4-diphenyldibenzothiophene
CID 145331773
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-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
8-(3-methylphenyl)naphtho[2,1-b][1]benzothiole
CID 166880433
2-phenyl-4-[7-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200211
11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 165032667
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940
2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine
CID 166577291
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-dimethylcarbazole;9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-4-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 159688864

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-phenyldibenzothiophene?
The IUPAC name of 4-(3-methylphenyl)-1-phenyldibenzothiophene (CID 129266942) is 4-(3-methylphenyl)-1-phenyldibenzothiophene.
What is the SMILES notation for 4-(3-methylphenyl)-1-phenyldibenzothiophene?
The canonical SMILES for 4-(3-methylphenyl)-1-phenyldibenzothiophene is Cc1cccc(-c2ccc(-c3ccccc3)c3c2sc2ccccc23)c1.
What is the InChIKey of 4-(3-methylphenyl)-1-phenyldibenzothiophene?
The InChIKey is JLWDGJBPARFAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18S/c1-17-8-7-11-19(16-17)21-15-14-20(18-9-3-2-4-10-18)24-22-12-5-6-13-23(22)26-25(21)24/h2-16H,1H3.
What are the key properties of 4-(3-methylphenyl)-1-phenyldibenzothiophene?
4-(3-methylphenyl)-1-phenyldibenzothiophene 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-methylphenyl)-1-phenyldibenzothiophene is sourced from PubChem (CID 129266942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).