4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole

C24H15NOS — CID 146187398

IUPAC4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole
SMILESc1cc(-c2occ3c(-c4scc5ccccc45)cccc23)c2c[nH]cc2c1
InChIInChI=1S/C24H15NOS/c1-2-7-17-16(5-1)14-27-24(17)20-10-4-9-19-22(20)13-26-23(19)18-8-3-6-15-11-25-12-21(15)18/h1-14,25H
InChIKeyIQIWGFVHCTVSQK-UHFFFAOYSA-N
MW365.46 g/mol
LogP7.46
Rot. Bonds2

About 4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole

4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole (PubChem CID 146187398) has the molecular formula C24H15NOS and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole.

Molecular Properties

Compound Name4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole
PubChem CID146187398
Molecular FormulaC24H15NOS
Molecular Weight365.46 g/mol
Exact Mass365.09
IUPAC Name4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole
SMILESc1cc(-c2occ3c(-c4scc5ccccc45)cccc23)c2c[nH]cc2c1
InChIInChI=1S/C24H15NOS/c1-2-7-17-16(5-1)14-27-24(17)20-10-4-9-19-22(20)13-26-23(19)18-8-3-6-15-11-25-12-21(15)18/h1-14,25H
InChIKeyIQIWGFVHCTVSQK-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 4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole?
The IUPAC name of 4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole (CID 146187398) is 4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole.
What is the SMILES notation for 4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole?
The canonical SMILES for 4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole is c1cc(-c2occ3c(-c4scc5ccccc45)cccc23)c2c[nH]cc2c1.
What is the InChIKey of 4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole?
The InChIKey is IQIWGFVHCTVSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NOS/c1-2-7-17-16(5-1)14-27-24(17)20-10-4-9-19-22(20)13-26-23(19)18-8-3-6-15-11-25-12-21(15)18/h1-14,25H.
What are the key properties of 4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole?
4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole 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 4-[4-(2-benzothiophen-1-yl)-2-benzofuran-1-yl]-2H-isoindole is sourced from PubChem (CID 146187398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).