4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole

C24H15NOS — CID 145202009

IUPAC4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole
SMILESc1cc(-c2ccc(-c3cccc4occc34)c3c[nH]cc23)c2cscc2c1
InChIInChI=1S/C24H15NOS/c1-3-15-13-27-14-23(15)17(4-1)19-8-7-18(21-11-25-12-22(19)21)16-5-2-6-24-20(16)9-10-26-24/h1-14,25H
InChIKeyCIAVOIIWPFHFAO-UHFFFAOYSA-N
MW365.46 g/mol
LogP7.46
Rot. Bonds2

About 4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole

4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole (PubChem CID 145202009) has the molecular formula C24H15NOS and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole.

Molecular Properties

Compound Name4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole
PubChem CID145202009
Molecular FormulaC24H15NOS
Molecular Weight365.46 g/mol
Exact Mass365.09
IUPAC Name4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole
SMILESc1cc(-c2ccc(-c3cccc4occc34)c3c[nH]cc23)c2cscc2c1
InChIInChI=1S/C24H15NOS/c1-3-15-13-27-14-23(15)17(4-1)19-8-7-18(21-11-25-12-22(19)21)16-5-2-6-24-20(16)9-10-26-24/h1-14,25H
InChIKeyCIAVOIIWPFHFAO-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

3-(6-Thiophen-3-yl-1-benzofuran-3-yl)pyridine
CID 12094548
3-(6-Thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride
CID 23438900
6H-Furo[2,3-f]isoindole
CID 45122577
3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole
CID 54042875
1-benzofuran;1-benzothiophene;1H-indole
CID 67462302
9-(1-Benzothiophen-3-yl)-6-oxa-20-thia-18-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14(19),15,17-nonaene
CID 89951347
2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
CID 90755845
3-(7-Oxa-23-thiahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaen-12-yl)pyridine
CID 117878360
3-(7-Oxa-22-thiahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)pyridine
CID 117878372
3-(23-Oxa-7-thiahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaen-12-yl)pyridine
CID 117878587
6-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole
CID 130307454
6-[5-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole
CID 130420649

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole?
The IUPAC name of 4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole (CID 145202009) is 4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole.
What is the SMILES notation for 4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole?
The canonical SMILES for 4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole is c1cc(-c2ccc(-c3cccc4occc34)c3c[nH]cc23)c2cscc2c1.
What is the InChIKey of 4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole?
The InChIKey is CIAVOIIWPFHFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NOS/c1-3-15-13-27-14-23(15)17(4-1)19-8-7-18(21-11-25-12-22(19)21)16-5-2-6-24-20(16)9-10-26-24/h1-14,25H.
What are the key properties of 4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole?
4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-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-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole is sourced from PubChem (CID 145202009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).