7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole

C32H20N2OS — CID 90928440

IUPAC7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
SMILESc1ccc2[nH]c(-c3[nH]cc4ccc(-c5cc6ccccc6s5)c(-c5cc6ccccc6o5)c34)cc2c1
InChIInChI=1S/C32H20N2OS/c1-4-10-24-19(7-1)15-25(34-24)32-30-22(18-33-32)13-14-23(29-17-21-9-3-6-12-28(21)36-29)31(30)27-16-20-8-2-5-11-26(20)35-27/h1-18,33-34H
InChIKeyHEWONGDYQIAMKL-UHFFFAOYSA-N
MW480.59 g/mol
LogP9.61
Rot. Bonds3

About 7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole

7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole (PubChem CID 90928440) has the molecular formula C32H20N2OS and a molecular weight of 480.59 g/mol. Its IUPAC name is 7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole.

Molecular Properties

Compound Name7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
PubChem CID90928440
Molecular FormulaC32H20N2OS
Molecular Weight480.59 g/mol
Exact Mass480.13
IUPAC Name7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
SMILESc1ccc2[nH]c(-c3[nH]cc4ccc(-c5cc6ccccc6s5)c(-c5cc6ccccc6o5)c34)cc2c1
InChIInChI=1S/C32H20N2OS/c1-4-10-24-19(7-1)15-25(34-24)32-30-22(18-33-32)13-14-23(29-17-21-9-3-6-12-28(21)36-29)31(30)27-16-20-8-2-5-11-26(20)35-27/h1-18,33-34H
InChIKeyHEWONGDYQIAMKL-UHFFFAOYSA-N
XLogP9.61
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 59.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole?
The IUPAC name of 7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole (CID 90928440) is 7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole.
What is the SMILES notation for 7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole?
The canonical SMILES for 7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole is c1ccc2[nH]c(-c3[nH]cc4ccc(-c5cc6ccccc6s5)c(-c5cc6ccccc6o5)c34)cc2c1.
What is the InChIKey of 7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole?
The InChIKey is HEWONGDYQIAMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2OS/c1-4-10-24-19(7-1)15-25(34-24)32-30-22(18-33-32)13-14-23(29-17-21-9-3-6-12-28(21)36-29)31(30)27-16-20-8-2-5-11-26(20)35-27/h1-18,33-34H.
What are the key properties of 7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole?
7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole has a molecular weight of 480.59 g/mol, XLogP of 9.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole is sourced from PubChem (CID 90928440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).