6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole

C47H28N4O2S — CID 141039510

IUPAC6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole
SMILESc1ccc2[nH]c(-c3nn(-c4[nH]cc5ccccc45)c4cc(-c5cc6ccccc6o5)c(-c5occ6ccccc56)c(-c5cc6ccccc6s5)c34)cc2c1
InChIInChI=1S/C47H28N4O2S/c1-7-17-33-30(14-1)25-48-47(33)51-37-24-34(39-22-28-12-4-9-19-38(28)53-39)42(46-32-16-6-2-15-31(32)26-52-46)44(41-23-29-13-5-10-20-40(29)54-41)43(37)45(50-51)36-21-27-11-3-8-18-35(27)49-36/h1-26,48-49H
InChIKeyRSIGLAWKLFYFSM-UHFFFAOYSA-N
MW712.83 g/mol
LogP13.36
Rot. Bonds5

About 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole

6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole (PubChem CID 141039510) has the molecular formula C47H28N4O2S and a molecular weight of 712.83 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole
PubChem CID141039510
Molecular FormulaC47H28N4O2S
Molecular Weight712.83 g/mol
Exact Mass712.19
IUPAC Name6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole
SMILESc1ccc2[nH]c(-c3nn(-c4[nH]cc5ccccc45)c4cc(-c5cc6ccccc6o5)c(-c5occ6ccccc56)c(-c5cc6ccccc6s5)c34)cc2c1
InChIInChI=1S/C47H28N4O2S/c1-7-17-33-30(14-1)25-48-47(33)51-37-24-34(39-22-28-12-4-9-19-38(28)53-39)42(46-32-16-6-2-15-31(32)26-52-46)44(41-23-29-13-5-10-20-40(29)54-41)43(37)45(50-51)36-21-27-11-3-8-18-35(27)49-36/h1-26,48-49H
InChIKeyRSIGLAWKLFYFSM-UHFFFAOYSA-N
XLogP13.36
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.83
LogP ≤ 513.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole with MolForge

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Related Compounds

1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indazole;1H-indole
CID 67067518
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole
CID 140969703
2-[3-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-5-(1H-pyrazol-3-yl)-4-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)phenyl]-1,3-benzothiazole
CID 141002671
2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole
CID 141018503
1-[4-(2-benzofuran-1-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(1H-pyrazol-3-yl)phenyl]-2H-isoindole
CID 141019378
1-[2-(1H-benzimidazol-2-yl)-4-(1-benzothiophen-2-yl)-3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)phenyl]indazole
CID 141041363
7-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-1H-benzimidazole
CID 141050966
2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole
CID 141050991
5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole
CID 141051888
6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole
CID 141075078
2-[3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-4-(1H-pyrazol-3-yl)phenyl]quinoline
CID 141080146

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole?
The IUPAC name of 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole (CID 141039510) is 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole?
The canonical SMILES for 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole is c1ccc2[nH]c(-c3nn(-c4[nH]cc5ccccc45)c4cc(-c5cc6ccccc6o5)c(-c5occ6ccccc56)c(-c5cc6ccccc6s5)c34)cc2c1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole?
The InChIKey is RSIGLAWKLFYFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O2S/c1-7-17-33-30(14-1)25-48-47(33)51-37-24-34(39-22-28-12-4-9-19-38(28)53-39)42(46-32-16-6-2-15-31(32)26-52-46)44(41-23-29-13-5-10-20-40(29)54-41)43(37)45(50-51)36-21-27-11-3-8-18-35(27)49-36/h1-26,48-49H.
What are the key properties of 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole?
6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole has a molecular weight of 712.83 g/mol, XLogP of 13.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole is sourced from PubChem (CID 141039510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).