5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole

C24H15NOS — CID 135299786

IUPAC5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole
SMILESc1ccc2oc(-c3ccc4cc(-c5ccc6[nH]ccc6c5)sc4c3)cc2c1
InChIInChI=1S/C24H15NOS/c1-2-4-21-16(3-1)12-22(26-21)17-5-6-19-14-24(27-23(19)13-17)18-7-8-20-15(11-18)9-10-25-20/h1-14,25H
InChIKeyVETNNYAEZNBZAN-UHFFFAOYSA-N
MW365.46 g/mol
LogP7.46
Rot. Bonds2

About 5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole

5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole (PubChem CID 135299786) has the molecular formula C24H15NOS and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole.

Molecular Properties

Compound Name5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole
PubChem CID135299786
Molecular FormulaC24H15NOS
Molecular Weight365.46 g/mol
Exact Mass365.09
IUPAC Name5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole
SMILESc1ccc2oc(-c3ccc4cc(-c5ccc6[nH]ccc6c5)sc4c3)cc2c1
InChIInChI=1S/C24H15NOS/c1-2-4-21-16(3-1)12-22(26-21)17-5-6-19-14-24(27-23(19)13-17)18-7-8-20-15(11-18)9-10-25-20/h1-14,25H
InChIKeyVETNNYAEZNBZAN-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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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole?
The IUPAC name of 5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole (CID 135299786) is 5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole.
What is the SMILES notation for 5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole?
The canonical SMILES for 5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole is c1ccc2oc(-c3ccc4cc(-c5ccc6[nH]ccc6c5)sc4c3)cc2c1.
What is the InChIKey of 5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole?
The InChIKey is VETNNYAEZNBZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NOS/c1-2-4-21-16(3-1)12-22(26-21)17-5-6-19-14-24(27-23(19)13-17)18-7-8-20-15(11-18)9-10-25-20/h1-14,25H.
What are the key properties of 5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole?
5-[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 5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole is sourced from PubChem (CID 135299786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).