2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole

C36H22N2O2S2 — CID 141050660

IUPAC2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole
SMILESc1c[nH]c(-c2cc3sc(-c4cccs4)c(-c4cc5ccccc5o4)c3c(-c3ccco3)c2-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C36H22N2O2S2/c1-3-10-24-21(8-1)18-26(38-24)32-23(25-11-5-15-37-25)20-31-35(33(32)28-13-6-16-39-28)34(36(42-31)30-14-7-17-41-30)29-19-22-9-2-4-12-27(22)40-29/h1-20,37-38H
InChIKeyMJBDKYICHWIASY-UHFFFAOYSA-N
MW578.72 g/mol
LogP11.45
Rot. Bonds5

About 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole

2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole (PubChem CID 141050660) has the molecular formula C36H22N2O2S2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole
PubChem CID141050660
Molecular FormulaC36H22N2O2S2
Molecular Weight578.72 g/mol
Exact Mass578.11
IUPAC Name2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole
SMILESc1c[nH]c(-c2cc3sc(-c4cccs4)c(-c4cc5ccccc5o4)c3c(-c3ccco3)c2-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C36H22N2O2S2/c1-3-10-24-21(8-1)18-26(38-24)32-23(25-11-5-15-37-25)20-31-35(33(32)28-13-6-16-39-28)34(36(42-31)30-14-7-17-41-30)29-19-22-9-2-4-12-27(22)40-29/h1-20,37-38H
InChIKeyMJBDKYICHWIASY-UHFFFAOYSA-N
XLogP11.45
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 511.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole with MolForge

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Related Compounds

2-[1-(1-benzofuran-2-yl)-7-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-6-(2H-isoindol-1-yl)-2-benzothiophen-5-yl]-1H-benzimidazole
CID 53825994
1-benzofuran;1-benzothiophene;1H-indole
CID 67462302
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indole;2H-isoindole
CID 69494068
(2S)-1-[[5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 69917753
2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
CID 90755845
7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
CID 90928440
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole
CID 123311574
6-[5-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole
CID 130420649
5-[6-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]-1H-indole
CID 135299786
5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)isoquinoline
CID 140968611

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole (CID 141050660) is 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole is c1c[nH]c(-c2cc3sc(-c4cccs4)c(-c4cc5ccccc5o4)c3c(-c3ccco3)c2-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole?
The InChIKey is MJBDKYICHWIASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O2S2/c1-3-10-24-21(8-1)18-26(38-24)32-23(25-11-5-15-37-25)20-31-35(33(32)28-13-6-16-39-28)34(36(42-31)30-14-7-17-41-30)29-19-22-9-2-4-12-27(22)40-29/h1-20,37-38H.
What are the key properties of 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole?
2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole has a molecular weight of 578.72 g/mol, XLogP of 11.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole is sourced from PubChem (CID 141050660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).