5-(3-fluorophenyl)dibenzothiophen-5-ium

C18H12FS+ — CID 140660901

IUPAC5-(3-fluorophenyl)dibenzothiophen-5-ium
SMILESFc1cccc(-[s+]2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C18H12FS/c19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-12H/q+1
InChIKeySXTWCZFEESRPRE-UHFFFAOYSA-N
MW279.36 g/mol
LogP5.87
Rot. Bonds1

About 5-(3-fluorophenyl)dibenzothiophen-5-ium

5-(3-fluorophenyl)dibenzothiophen-5-ium (PubChem CID 140660901) has the molecular formula C18H12FS+ and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)dibenzothiophen-5-ium.

Molecular Properties

Compound Name5-(3-fluorophenyl)dibenzothiophen-5-ium
PubChem CID140660901
Molecular FormulaC18H12FS+
Molecular Weight279.36 g/mol
Exact Mass279.06
IUPAC Name5-(3-fluorophenyl)dibenzothiophen-5-ium
SMILESFc1cccc(-[s+]2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C18H12FS/c19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-12H/q+1
InChIKeySXTWCZFEESRPRE-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.36
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

10-(3-fluorophenyl)thioxanthen-10-ium-9-one
CID 148765413
1-[5-(3-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone
CID 171589548
5-naphthalen-2-yldibenzothiophen-5-ium
CID 59594107
5-(3,5-diiodophenyl)dibenzothiophen-5-ium
CID 176607373
5-[4-[(3,5-difluorophenyl)methoxy]phenyl]dibenzothiophen-5-ium
CID 166037462
2-methyl-10-[3-(trifluoromethyl)phenyl]thioxanthen-10-ium-9-one
CID 140660906
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
CID 102497816
(3-dibenzothiophen-5-ium-5-ylphenyl) 2,3,6-triiodobenzoate
CID 147715188
5-[4-(2-fluoro-4-iodophenoxy)phenyl]dibenzothiophen-5-ium
CID 162696190
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
2-fluorotriphenylene
CID 23233895
methyl 5-(4-fluorophenyl)dibenzothiophen-5-ium-1-carboxylate
CID 171589736

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)dibenzothiophen-5-ium?
The IUPAC name of 5-(3-fluorophenyl)dibenzothiophen-5-ium (CID 140660901) is 5-(3-fluorophenyl)dibenzothiophen-5-ium.
What is the SMILES notation for 5-(3-fluorophenyl)dibenzothiophen-5-ium?
The canonical SMILES for 5-(3-fluorophenyl)dibenzothiophen-5-ium is Fc1cccc(-[s+]2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-(3-fluorophenyl)dibenzothiophen-5-ium?
The InChIKey is SXTWCZFEESRPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FS/c19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-12H/q+1.
What are the key properties of 5-(3-fluorophenyl)dibenzothiophen-5-ium?
5-(3-fluorophenyl)dibenzothiophen-5-ium has a molecular weight of 279.36 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)dibenzothiophen-5-ium is sourced from PubChem (CID 140660901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).