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

C36H22N2O2S2 — CID 141178228

IUPAC5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
SMILESc1c[nH]c(-c2[nH]c3cc(-c4ccco4)c(-c4cc5ccccc5o4)c(-c4cccs4)c3c2-c2cc3ccccc3s2)c1
InChIInChI=1S/C36H22N2O2S2/c1-3-11-26-21(8-1)18-28(40-26)32-23(27-12-6-16-39-27)20-25-33(34(32)30-14-7-17-41-30)35(36(38-25)24-10-5-15-37-24)31-19-22-9-2-4-13-29(22)42-31/h1-20,37-38H
InChIKeyLJLRLJSLMIJDLM-UHFFFAOYSA-N
MW578.72 g/mol
LogP11.45
Rot. Bonds5

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

5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole (PubChem CID 141178228) has the molecular formula C36H22N2O2S2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
PubChem CID141178228
Molecular FormulaC36H22N2O2S2
Molecular Weight578.72 g/mol
Exact Mass578.11
IUPAC Name5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
SMILESc1c[nH]c(-c2[nH]c3cc(-c4ccco4)c(-c4cc5ccccc5o4)c(-c4cccs4)c3c2-c2cc3ccccc3s2)c1
InChIInChI=1S/C36H22N2O2S2/c1-3-11-26-21(8-1)18-28(40-26)32-23(27-12-6-16-39-27)20-25-33(34(32)30-14-7-17-41-30)35(36(38-25)24-10-5-15-37-24)31-19-22-9-2-4-13-29(22)42-31/h1-20,37-38H
InChIKeyLJLRLJSLMIJDLM-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 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole with MolForge

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Related Compounds

2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
2-[3-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-7-(1H-inden-1-yl)-4-(1H-indol-2-yl)quinolin-6-yl]-1,3-oxazole
CID 53651180
1-benzofuran;1-benzothiophene;1H-indole
CID 67462302
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indole;2H-isoindole
CID 69494068
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
4-(1-benzofuran-2-yl)-3-(2-benzylsulfanylphenyl)-1H-indole
CID 90993003
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
12-(1-Benzothiophen-3-yl)-5-phenyl-23-oxa-5-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,6,8,10,12,14,16(24),17,19,21-undecaene
CID 117878471
4-[12-(1-benzothiophen-3-yl)-5-phenyl-23-oxa-5-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1(13),2(10),3,6,8,11,14,16(24),17,19,21-undecaen-11-yl]-N,N-diphenylaniline
CID 117878504
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
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole?
The IUPAC name of 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole (CID 141178228) is 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole?
The canonical SMILES for 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole is c1c[nH]c(-c2[nH]c3cc(-c4ccco4)c(-c4cc5ccccc5o4)c(-c4cccs4)c3c2-c2cc3ccccc3s2)c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole?
The InChIKey is LJLRLJSLMIJDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O2S2/c1-3-11-26-21(8-1)18-28(40-26)32-23(27-12-6-16-39-27)20-25-33(34(32)30-14-7-17-41-30)35(36(38-25)24-10-5-15-37-24)31-19-22-9-2-4-13-29(22)42-31/h1-20,37-38H.
What are the key properties of 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole?
5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-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 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole is sourced from PubChem (CID 141178228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).