1-(4-methylnaphthalen-1-yl)dibenzothiophene

C23H16S — CID 156896766

IUPAC1-(4-methylnaphthalen-1-yl)dibenzothiophene
SMILESCc1ccc(-c2cccc3sc4ccccc4c23)c2ccccc12
InChIInChI=1S/C23H16S/c1-15-13-14-18(17-8-3-2-7-16(15)17)19-10-6-12-22-23(19)20-9-4-5-11-21(20)24-22/h2-14H,1H3
InChIKeyABKQWULOYBEUAK-UHFFFAOYSA-N
MW324.45 g/mol
LogP7.18
Rot. Bonds1

About 1-(4-methylnaphthalen-1-yl)dibenzothiophene

1-(4-methylnaphthalen-1-yl)dibenzothiophene (PubChem CID 156896766) has the molecular formula C23H16S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(4-methylnaphthalen-1-yl)dibenzothiophene.

Molecular Properties

Compound Name1-(4-methylnaphthalen-1-yl)dibenzothiophene
PubChem CID156896766
Molecular FormulaC23H16S
Molecular Weight324.45 g/mol
Exact Mass324.10
IUPAC Name1-(4-methylnaphthalen-1-yl)dibenzothiophene
SMILESCc1ccc(-c2cccc3sc4ccccc4c23)c2ccccc12
InChIInChI=1S/C23H16S/c1-15-13-14-18(17-8-3-2-7-16(15)17)19-10-6-12-22-23(19)20-9-4-5-11-21(20)24-22/h2-14H,1H3
InChIKeyABKQWULOYBEUAK-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyldibenzothiophene
CID 23839
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
1-phenyldibenzothiophene;hydrobromide
CID 174679709
2-[4-[4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942599
5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline
CID 164998499
1-(4-fluorophenyl)dibenzothiophene
CID 21111722
1-(2-phenyl-6-triphenylen-1-ylphenyl)dibenzothiophene
CID 166134859
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)dibenzothiophene
CID 176583173
12,12-dimethylfluoreno[2,1-b][1]benzothiole
CID 164804096
2-(4-methylnaphthalen-1-yl)phenol
CID 53405208
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
CID 59195925

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylnaphthalen-1-yl)dibenzothiophene?
The IUPAC name of 1-(4-methylnaphthalen-1-yl)dibenzothiophene (CID 156896766) is 1-(4-methylnaphthalen-1-yl)dibenzothiophene.
What is the SMILES notation for 1-(4-methylnaphthalen-1-yl)dibenzothiophene?
The canonical SMILES for 1-(4-methylnaphthalen-1-yl)dibenzothiophene is Cc1ccc(-c2cccc3sc4ccccc4c23)c2ccccc12.
What is the InChIKey of 1-(4-methylnaphthalen-1-yl)dibenzothiophene?
The InChIKey is ABKQWULOYBEUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16S/c1-15-13-14-18(17-8-3-2-7-16(15)17)19-10-6-12-22-23(19)20-9-4-5-11-21(20)24-22/h2-14H,1H3.
What are the key properties of 1-(4-methylnaphthalen-1-yl)dibenzothiophene?
1-(4-methylnaphthalen-1-yl)dibenzothiophene has a molecular weight of 324.45 g/mol, XLogP of 7.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylnaphthalen-1-yl)dibenzothiophene is sourced from PubChem (CID 156896766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).