3-(3-iodophenyl)dibenzothiophene

C18H11IS — CID 156570976

IUPAC3-(3-iodophenyl)dibenzothiophene
SMILESIc1cccc(-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C18H11IS/c19-14-5-3-4-12(10-14)13-8-9-16-15-6-1-2-7-17(15)20-18(16)11-13/h1-11H
InChIKeyFLOURRHOHMMUAP-UHFFFAOYSA-N
MW386.26 g/mol
LogP6.33
Rot. Bonds1

About 3-(3-iodophenyl)dibenzothiophene

3-(3-iodophenyl)dibenzothiophene (PubChem CID 156570976) has the molecular formula C18H11IS and a molecular weight of 386.26 g/mol. Its IUPAC name is 3-(3-iodophenyl)dibenzothiophene.

Molecular Properties

Compound Name3-(3-iodophenyl)dibenzothiophene
PubChem CID156570976
Molecular FormulaC18H11IS
Molecular Weight386.26 g/mol
Exact Mass385.96
IUPAC Name3-(3-iodophenyl)dibenzothiophene
SMILESIc1cccc(-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C18H11IS/c19-14-5-3-4-12(10-14)13-8-9-16-15-6-1-2-7-17(15)20-18(16)11-13/h1-11H
InChIKeyFLOURRHOHMMUAP-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.26
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-iododibenzothiophene
CID 86150547
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
3-(3-dibenzothiophen-3-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline
CID 129134389
2-(4-iodophenyl)dibenzothiophene
CID 118465203
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338
4-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 164848878
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
3-[10-(10-dibenzothiophen-3-ylanthracen-9-yl)anthracen-9-yl]dibenzothiophene
CID 89273646

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodophenyl)dibenzothiophene?
The IUPAC name of 3-(3-iodophenyl)dibenzothiophene (CID 156570976) is 3-(3-iodophenyl)dibenzothiophene.
What is the SMILES notation for 3-(3-iodophenyl)dibenzothiophene?
The canonical SMILES for 3-(3-iodophenyl)dibenzothiophene is Ic1cccc(-c2ccc3c(c2)sc2ccccc23)c1.
What is the InChIKey of 3-(3-iodophenyl)dibenzothiophene?
The InChIKey is FLOURRHOHMMUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11IS/c19-14-5-3-4-12(10-14)13-8-9-16-15-6-1-2-7-17(15)20-18(16)11-13/h1-11H.
What are the key properties of 3-(3-iodophenyl)dibenzothiophene?
3-(3-iodophenyl)dibenzothiophene has a molecular weight of 386.26 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenyl)dibenzothiophene is sourced from PubChem (CID 156570976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).