4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole

C22H14N2S — CID 155805483

IUPAC4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole
SMILESc1ccc2c(-c3c4ccsc4cc4[nH]c5ccccc5c34)c[nH]c2c1
InChIInChI=1S/C22H14N2S/c1-3-7-17-13(5-1)16(12-23-17)21-15-9-10-25-20(15)11-19-22(21)14-6-2-4-8-18(14)24-19/h1-12,23-24H
InChIKeyBOHVLPSIASJCQV-UHFFFAOYSA-N
MW338.44 g/mol
LogP6.68
Rot. Bonds1

About 4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole

4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole (PubChem CID 155805483) has the molecular formula C22H14N2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole
PubChem CID155805483
Molecular FormulaC22H14N2S
Molecular Weight338.44 g/mol
Exact Mass338.09
IUPAC Name4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole
SMILESc1ccc2c(-c3c4ccsc4cc4[nH]c5ccccc5c34)c[nH]c2c1
InChIInChI=1S/C22H14N2S/c1-3-7-17-13(5-1)16(12-23-17)21-15-9-10-25-20(15)11-19-22(21)14-6-2-4-8-18(14)24-19/h1-12,23-24H
InChIKeyBOHVLPSIASJCQV-UHFFFAOYSA-N
XLogP6.68
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.44
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole?
The IUPAC name of 4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole (CID 155805483) is 4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole?
The canonical SMILES for 4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole is c1ccc2c(-c3c4ccsc4cc4[nH]c5ccccc5c34)c[nH]c2c1.
What is the InChIKey of 4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole?
The InChIKey is BOHVLPSIASJCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2S/c1-3-7-17-13(5-1)16(12-23-17)21-15-9-10-25-20(15)11-19-22(21)14-6-2-4-8-18(14)24-19/h1-12,23-24H.
What are the key properties of 4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole?
4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole has a molecular weight of 338.44 g/mol, XLogP of 6.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-9H-thieno[2,3-b]carbazole is sourced from PubChem (CID 155805483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).