5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole

C47H28N4OS2 — CID 141186216

IUPAC5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole
SMILESc1ccc2oc(-c3[nH]c4ccccc4c3-c3ccc4c(c(-c5cc6ccccc6s5)nn4-c4cc5ccccc5s4)c3-c3[nH]cc4ccccc34)cc2c1
InChIInChI=1S/C47H28N4OS2/c1-5-15-31-30(14-1)26-48-45(31)43-33(42-32-16-6-7-17-34(32)49-46(42)37-23-27-11-2-8-18-36(27)52-37)21-22-35-44(43)47(40-24-28-12-3-9-19-38(28)53-40)50-51(35)41-25-29-13-4-10-20-39(29)54-41/h1-26,48-49H
InChIKeyRKUJIVKSZHMSJW-UHFFFAOYSA-N
MW728.90 g/mol
LogP13.83
Rot. Bonds5

About 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole

5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole (PubChem CID 141186216) has the molecular formula C47H28N4OS2 and a molecular weight of 728.90 g/mol. Its IUPAC name is 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole.

Molecular Properties

Compound Name5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole
PubChem CID141186216
Molecular FormulaC47H28N4OS2
Molecular Weight728.90 g/mol
Exact Mass728.17
IUPAC Name5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole
SMILESc1ccc2oc(-c3[nH]c4ccccc4c3-c3ccc4c(c(-c5cc6ccccc6s5)nn4-c4cc5ccccc5s4)c3-c3[nH]cc4ccccc34)cc2c1
InChIInChI=1S/C47H28N4OS2/c1-5-15-31-30(14-1)26-48-45(31)43-33(42-32-16-6-7-17-34(32)49-46(42)37-23-27-11-2-8-18-36(27)52-37)21-22-35-44(43)47(40-24-28-12-3-9-19-38(28)53-40)50-51(35)41-25-29-13-4-10-20-39(29)54-41/h1-26,48-49H
InChIKeyRKUJIVKSZHMSJW-UHFFFAOYSA-N
XLogP13.83
TPSA62.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 513.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide
CID 59024186
7-(1-benzothiophen-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide
CID 68084535
7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
CID 90928440
1-[(2S)-1-[[5-[3-(5-methylfuran-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[5-[3-(5-methylthiophen-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
CID 91501037
N-[3-[3-(7-dibenzothiophen-2-yl-3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 117990719
1-[5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone
CID 137115961
1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone
CID 137310733
5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)isoquinoline
CID 140968611
1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline
CID 140981088
3-[2-(1-benzofuran-3-yl)-4-(1H-indol-3-yl)-1-benzothiophen-3-yl]-1-methylindazole
CID 140997535
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole?
The IUPAC name of 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole (CID 141186216) is 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole.
What is the SMILES notation for 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole?
The canonical SMILES for 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole is c1ccc2oc(-c3[nH]c4ccccc4c3-c3ccc4c(c(-c5cc6ccccc6s5)nn4-c4cc5ccccc5s4)c3-c3[nH]cc4ccccc34)cc2c1.
What is the InChIKey of 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole?
The InChIKey is RKUJIVKSZHMSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4OS2/c1-5-15-31-30(14-1)26-48-45(31)43-33(42-32-16-6-7-17-34(32)49-46(42)37-23-27-11-2-8-18-36(27)52-37)21-22-35-44(43)47(40-24-28-12-3-9-19-38(28)53-40)50-51(35)41-25-29-13-4-10-20-39(29)54-41/h1-26,48-49H.
What are the key properties of 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole?
5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole has a molecular weight of 728.90 g/mol, XLogP of 13.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole is sourced from PubChem (CID 141186216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).