6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole

C24H15NOS — CID 130307454

IUPAC6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole
SMILESc1ccc2oc(-c3ccc4cc(-c5ccc6cc[nH]c6c5)sc4c3)cc2c1
InChIInChI=1S/C24H15NOS/c1-2-4-21-16(3-1)12-22(26-21)17-6-8-19-14-24(27-23(19)13-17)18-7-5-15-9-10-25-20(15)11-18/h1-14,25H
InChIKeyBAMKMUVMDKTNKE-UHFFFAOYSA-N
MW365.46 g/mol
LogP7.46
Rot. Bonds2

About 6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole

6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole (PubChem CID 130307454) has the molecular formula C24H15NOS and a molecular weight of 365.46 g/mol. Its IUPAC name is 6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole.

Molecular Properties

Compound Name6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole
PubChem CID130307454
Molecular FormulaC24H15NOS
Molecular Weight365.46 g/mol
Exact Mass365.09
IUPAC Name6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole
SMILESc1ccc2oc(-c3ccc4cc(-c5ccc6cc[nH]c6c5)sc4c3)cc2c1
InChIInChI=1S/C24H15NOS/c1-2-4-21-16(3-1)12-22(26-21)17-6-8-19-14-24(27-23(19)13-17)18-7-5-15-9-10-25-20(15)11-18/h1-14,25H
InChIKeyBAMKMUVMDKTNKE-UHFFFAOYSA-N
XLogP7.46
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(9Z)-9-[(5-methoxy-1H-indol-3-yl)methylidene]benzo[f][1]benzothiol-4-one
CID 16099000
6-(1H-indol-6-yl)-2-thiophen-3-ylchromen-4-one
CID 44202181
(2Z)-5-(1H-indol-6-yl)-2-(thiophen-3-ylmethylidene)-1-benzofuran-3-one
CID 44202182
6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
CID 89486930
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
CID 89486972
2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol
CID 89487144
6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
CID 89496044
6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
CID 89496075
4-(1-benzofuran-2-yl)-2-(1H-indol-3-yl)-2,3-dihydro-1,5-benzothiazepine
CID 145963209
7-(1-benzofuran-2-yl)-1H-indole
CID 69984916
2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]thiophen-2-yl]-1-benzofuran-6-carboximidamide
CID 123177486
N'-ethyl-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]thiophen-2-yl]-1-benzofuran-6-carboximidamide
CID 145558485

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole?
The IUPAC name of 6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole (CID 130307454) is 6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole.
What is the SMILES notation for 6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole?
The canonical SMILES for 6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole is c1ccc2oc(-c3ccc4cc(-c5ccc6cc[nH]c6c5)sc4c3)cc2c1.
What is the InChIKey of 6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole?
The InChIKey is BAMKMUVMDKTNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NOS/c1-2-4-21-16(3-1)12-22(26-21)17-6-8-19-14-24(27-23(19)13-17)18-7-5-15-9-10-25-20(15)11-18/h1-14,25H.
What are the key properties of 6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole?
6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole has a molecular weight of 365.46 g/mol, XLogP of 7.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole is sourced from PubChem (CID 130307454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).