2-dibenzothiophen-1-yl-1H-indole

C20H13NS — CID 175594663

IUPAC2-dibenzothiophen-1-yl-1H-indole
SMILESc1ccc2[nH]c(-c3cccc4sc5ccccc5c34)cc2c1
InChIInChI=1S/C20H13NS/c1-3-9-16-13(6-1)12-17(21-16)14-8-5-11-19-20(14)15-7-2-4-10-18(15)22-19/h1-12,21H
InChIKeyABAVCURPMWXFHT-UHFFFAOYSA-N
MW299.40 g/mol
LogP6.20
Rot. Bonds1

About 2-dibenzothiophen-1-yl-1H-indole

2-dibenzothiophen-1-yl-1H-indole (PubChem CID 175594663) has the molecular formula C20H13NS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-1H-indole.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-1H-indole
PubChem CID175594663
Molecular FormulaC20H13NS
Molecular Weight299.40 g/mol
Exact Mass299.08
IUPAC Name2-dibenzothiophen-1-yl-1H-indole
SMILESc1ccc2[nH]c(-c3cccc4sc5ccccc5c34)cc2c1
InChIInChI=1S/C20H13NS/c1-3-9-16-13(6-1)12-17(21-16)14-8-5-11-19-20(14)15-7-2-4-10-18(15)22-19/h1-12,21H
InChIKeyABAVCURPMWXFHT-UHFFFAOYSA-N
XLogP6.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.40
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-dibenzothiophen-1-yl-7H-benzo[c]carbazole
CID 142570089
1-(1H-indol-2-yl)xanthen-9-one
CID 134824217
2-dibenzothiophen-1-yl-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 139304980
1-phenyldibenzothiophene;hydrobromide
CID 174679709
2-(2,6-diphenylphenyl)-1H-indole
CID 135023242
10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole
CID 142568734
10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen
CID 142569776
1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine
CID 154697134
2-(2-iodophenyl)-1H-indole
CID 12996175
1-(4-fluorophenyl)dibenzothiophene
CID 21111722
2-dibenzothiophen-1-yl-4,6-diphenylpyrimidine
CID 134199317
2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
CID 141030381

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-1H-indole?
The IUPAC name of 2-dibenzothiophen-1-yl-1H-indole (CID 175594663) is 2-dibenzothiophen-1-yl-1H-indole.
What is the SMILES notation for 2-dibenzothiophen-1-yl-1H-indole?
The canonical SMILES for 2-dibenzothiophen-1-yl-1H-indole is c1ccc2[nH]c(-c3cccc4sc5ccccc5c34)cc2c1.
What is the InChIKey of 2-dibenzothiophen-1-yl-1H-indole?
The InChIKey is ABAVCURPMWXFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NS/c1-3-9-16-13(6-1)12-17(21-16)14-8-5-11-19-20(14)15-7-2-4-10-18(15)22-19/h1-12,21H.
What are the key properties of 2-dibenzothiophen-1-yl-1H-indole?
2-dibenzothiophen-1-yl-1H-indole has a molecular weight of 299.40 g/mol, XLogP of 6.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-1H-indole is sourced from PubChem (CID 175594663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).