1-phenyldibenzothiophene;hydrobromide

C18H13BrS — CID 174679709

IUPAC1-phenyldibenzothiophene;hydrobromide
SMILESBr.c1ccc(-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C18H12S.BrH/c1-2-7-13(8-3-1)14-10-6-12-17-18(14)15-9-4-5-11-16(15)19-17;/h1-12H;1H
InChIKeyGURJJFGTKGIENU-UHFFFAOYSA-N
MW341.27 g/mol
LogP6.30
Rot. Bonds1

About 1-phenyldibenzothiophene;hydrobromide

1-phenyldibenzothiophene;hydrobromide (PubChem CID 174679709) has the molecular formula C18H13BrS and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-phenyldibenzothiophene;hydrobromide.

Molecular Properties

Compound Name1-phenyldibenzothiophene;hydrobromide
PubChem CID174679709
Molecular FormulaC18H13BrS
Molecular Weight341.27 g/mol
Exact Mass339.99
IUPAC Name1-phenyldibenzothiophene;hydrobromide
SMILESBr.c1ccc(-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C18H12S.BrH/c1-2-7-13(8-3-1)14-10-6-12-17-18(14)15-9-4-5-11-16(15)19-17;/h1-12H;1H
InChIKeyGURJJFGTKGIENU-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.27
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-phenyldibenzothiophene;hydrobromide 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

2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
1-(4-fluorophenyl)dibenzothiophene
CID 21111722
4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
(4-dibenzothiophen-1-ylphenyl)methanamine
CID 153362309
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
1-(2-phenyl-6-triphenylen-1-ylphenyl)dibenzothiophene
CID 166134859
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
1-[4-(trifluoromethyl)phenyl]dibenzothiophene
CID 158974890
8-phenyl-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 66661576
1-(3-chloro-5-phenylphenyl)dibenzothiophene
CID 175911263
2,4-bis(3-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139304118

Frequently Asked Questions

What is the IUPAC name of 1-phenyldibenzothiophene;hydrobromide?
The IUPAC name of 1-phenyldibenzothiophene;hydrobromide (CID 174679709) is 1-phenyldibenzothiophene;hydrobromide.
What is the SMILES notation for 1-phenyldibenzothiophene;hydrobromide?
The canonical SMILES for 1-phenyldibenzothiophene;hydrobromide is Br.c1ccc(-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of 1-phenyldibenzothiophene;hydrobromide?
The InChIKey is GURJJFGTKGIENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S.BrH/c1-2-7-13(8-3-1)14-10-6-12-17-18(14)15-9-4-5-11-16(15)19-17;/h1-12H;1H.
What are the key properties of 1-phenyldibenzothiophene;hydrobromide?
1-phenyldibenzothiophene;hydrobromide has a molecular weight of 341.27 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldibenzothiophene;hydrobromide is sourced from PubChem (CID 174679709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).