1-benzothiophene;pyrrolo[3,2-a]carbazole

C22H14N2S — CID 175254659

IUPAC1-benzothiophene;pyrrolo[3,2-a]carbazole
SMILESC1=Cc2c3c(ccc2=N1)=c1ccccc1=N3.c1ccc2sccc2c1
InChIInChI=1S/C14H8N2.C8H6S/c1-2-4-13-9(3-1)10-5-6-12-11(7-8-15-12)14(10)16-13;1-2-4-8-7(3-1)5-6-9-8/h1-8H;1-6H
InChIKeyGISVTQXGYBPVKU-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.74
Rot. Bonds

About 1-benzothiophene;pyrrolo[3,2-a]carbazole

1-benzothiophene;pyrrolo[3,2-a]carbazole (PubChem CID 175254659) has the molecular formula C22H14N2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-benzothiophene;pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name1-benzothiophene;pyrrolo[3,2-a]carbazole
PubChem CID175254659
Molecular FormulaC22H14N2S
Molecular Weight338.44 g/mol
Exact Mass338.09
IUPAC Name1-benzothiophene;pyrrolo[3,2-a]carbazole
SMILESC1=Cc2c3c(ccc2=N1)=c1ccccc1=N3.c1ccc2sccc2c1
InChIInChI=1S/C14H8N2.C8H6S/c1-2-4-13-9(3-1)10-5-6-12-11(7-8-15-12)14(10)16-13;1-2-4-8-7(3-1)5-6-9-8/h1-8H;1-6H
InChIKeyGISVTQXGYBPVKU-UHFFFAOYSA-N
XLogP4.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;pyrrolo[3,2-a]carbazole?
The IUPAC name of 1-benzothiophene;pyrrolo[3,2-a]carbazole (CID 175254659) is 1-benzothiophene;pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 1-benzothiophene;pyrrolo[3,2-a]carbazole?
The canonical SMILES for 1-benzothiophene;pyrrolo[3,2-a]carbazole is C1=Cc2c3c(ccc2=N1)=c1ccccc1=N3.c1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophene;pyrrolo[3,2-a]carbazole?
The InChIKey is GISVTQXGYBPVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2.C8H6S/c1-2-4-13-9(3-1)10-5-6-12-11(7-8-15-12)14(10)16-13;1-2-4-8-7(3-1)5-6-9-8/h1-8H;1-6H.
What are the key properties of 1-benzothiophene;pyrrolo[3,2-a]carbazole?
1-benzothiophene;pyrrolo[3,2-a]carbazole has a molecular weight of 338.44 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 175254659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).