2-[4-(3-fluorophenyl)phenyl]dibenzothiophene

C24H15FS — CID 170397972

IUPAC2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
SMILESFc1cccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c1
InChIInChI=1S/C24H15FS/c25-20-5-3-4-18(14-20)16-8-10-17(11-9-16)19-12-13-24-22(15-19)21-6-1-2-7-23(21)26-24/h1-15H
InChIKeyNMYDSGYOXAZHBG-UHFFFAOYSA-N
MW354.45 g/mol
LogP7.53
Rot. Bonds2

About 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene

2-[4-(3-fluorophenyl)phenyl]dibenzothiophene (PubChem CID 170397972) has the molecular formula C24H15FS and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
PubChem CID170397972
Molecular FormulaC24H15FS
Molecular Weight354.45 g/mol
Exact Mass354.09
IUPAC Name2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
SMILESFc1cccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c1
InChIInChI=1S/C24H15FS/c25-20-5-3-4-18(14-20)16-8-10-17(11-9-16)19-12-13-24-22(15-19)21-6-1-2-7-23(21)26-24/h1-15H
InChIKeyNMYDSGYOXAZHBG-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
2-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 171056615
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
2-(4-iodophenyl)dibenzothiophene
CID 118465203
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
[3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane
CID 171056255
[3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056513

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene?
The IUPAC name of 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene (CID 170397972) is 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene.
What is the SMILES notation for 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene?
The canonical SMILES for 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene is Fc1cccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c1.
What is the InChIKey of 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene?
The InChIKey is NMYDSGYOXAZHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FS/c25-20-5-3-4-18(14-20)16-8-10-17(11-9-16)19-12-13-24-22(15-19)21-6-1-2-7-23(21)26-24/h1-15H.
What are the key properties of 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene?
2-[4-(3-fluorophenyl)phenyl]dibenzothiophene has a molecular weight of 354.45 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)phenyl]dibenzothiophene is sourced from PubChem (CID 170397972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).