2-(4-iodophenyl)dibenzothiophene

C18H11IS — CID 118465203

IUPAC2-(4-iodophenyl)dibenzothiophene
SMILESIc1ccc(-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C18H11IS/c19-14-8-5-12(6-9-14)13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11H
InChIKeyLRJUYELNQLGRIZ-UHFFFAOYSA-N
MW386.26 g/mol
LogP6.33
Rot. Bonds1

About 2-(4-iodophenyl)dibenzothiophene

2-(4-iodophenyl)dibenzothiophene (PubChem CID 118465203) has the molecular formula C18H11IS and a molecular weight of 386.26 g/mol. Its IUPAC name is 2-(4-iodophenyl)dibenzothiophene.

Molecular Properties

Compound Name2-(4-iodophenyl)dibenzothiophene
PubChem CID118465203
Molecular FormulaC18H11IS
Molecular Weight386.26 g/mol
Exact Mass385.96
IUPAC Name2-(4-iodophenyl)dibenzothiophene
SMILESIc1ccc(-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C18H11IS/c19-14-8-5-12(6-9-14)13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11H
InChIKeyLRJUYELNQLGRIZ-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'}

Analyze 2-(4-iodophenyl)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
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
CID 170397972
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
2-(7-dibenzothiophen-2-ylpyren-2-yl)dibenzothiophene
CID 139341252
3-iododibenzothiophene
CID 86150547
CID 171583605
CID 171583605
2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene
CID 59629408
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)dibenzothiophene?
The IUPAC name of 2-(4-iodophenyl)dibenzothiophene (CID 118465203) is 2-(4-iodophenyl)dibenzothiophene.
What is the SMILES notation for 2-(4-iodophenyl)dibenzothiophene?
The canonical SMILES for 2-(4-iodophenyl)dibenzothiophene is Ic1ccc(-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 2-(4-iodophenyl)dibenzothiophene?
The InChIKey is LRJUYELNQLGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11IS/c19-14-8-5-12(6-9-14)13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11H.
What are the key properties of 2-(4-iodophenyl)dibenzothiophene?
2-(4-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 2-(4-iodophenyl)dibenzothiophene is sourced from PubChem (CID 118465203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).