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

C48H28N2O2S2 — CID 141186222

IUPAC1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole
SMILESc1ccc2oc(-c3c(-c4cccc5c(-c6cc7ccccc7s6)sc(-c6[nH]cc7ccccc67)c45)c4ccccc4n3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C48H28N2O2S2/c1-5-16-32-31(15-1)27-49-45(32)48-44-34(18-11-19-35(44)47(54-48)41-25-30-14-4-10-23-40(30)53-41)43-33-17-6-7-20-36(33)50(42-26-29-13-3-9-22-38(29)52-42)46(43)39-24-28-12-2-8-21-37(28)51-39/h1-27,49H
InChIKeyQEYAPBSIFRBOFQ-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.70
Rot. Bonds5

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

1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole (PubChem CID 141186222) has the molecular formula C48H28N2O2S2 and a molecular weight of 728.90 g/mol. Its IUPAC name is 1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole.

Molecular Properties

Compound Name1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole
PubChem CID141186222
Molecular FormulaC48H28N2O2S2
Molecular Weight728.90 g/mol
Exact Mass728.16
IUPAC Name1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole
SMILESc1ccc2oc(-c3c(-c4cccc5c(-c6cc7ccccc7s6)sc(-c6[nH]cc7ccccc67)c45)c4ccccc4n3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C48H28N2O2S2/c1-5-16-32-31(15-1)27-49-45(32)48-44-34(18-11-19-35(44)47(54-48)41-25-30-14-4-10-23-40(30)53-41)43-33-17-6-7-20-36(33)50(42-26-29-13-3-9-22-38(29)52-42)46(43)39-24-28-12-2-8-21-37(28)51-39/h1-27,49H
InChIKeyQEYAPBSIFRBOFQ-UHFFFAOYSA-N
XLogP14.70
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole 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

5-[9-(8-Carbazol-9-yldibenzofuran-2-yl)-6-methylcarbazol-3-yl]-1,3-benzoxazole;3-dibenzothiophen-2-yl-6-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole
CID 161961631
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
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58099555
9-Dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 58501567
N-(2-Methyl-3-{2-[4-(pyrrolidin-1-ylcarbonyl)phenyl]furo[3,2-b]pyridin-7-yl}phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 66779332
9-[2-Carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole
CID 69286037
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 87766443
9-[8-[5-(8-Dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole
CID 89433865
8-[3-(6-Dibenzothiophen-4-yl-2-pyridinyl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850020
6-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
CID 89850024
8-[3-(8-Dibenzothiophen-2-yldibenzofuran-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850025
6-[3-[3-(3-Dibenzothiophen-4-ylphenyl)phenyl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
CID 89850029

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole?
The IUPAC name of 1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole (CID 141186222) is 1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole.
What is the SMILES notation for 1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole?
The canonical SMILES for 1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole is c1ccc2oc(-c3c(-c4cccc5c(-c6cc7ccccc7s6)sc(-c6[nH]cc7ccccc67)c45)c4ccccc4n3-c3cc4ccccc4o3)cc2c1.
What is the InChIKey of 1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole?
The InChIKey is QEYAPBSIFRBOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2S2/c1-5-16-32-31(15-1)27-49-45(32)48-44-34(18-11-19-35(44)47(54-48)41-25-30-14-4-10-23-40(30)53-41)43-33-17-6-7-20-36(33)50(42-26-29-13-3-9-22-38(29)52-42)46(43)39-24-28-12-2-8-21-37(28)51-39/h1-27,49H.
What are the key properties of 1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole?
1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole has a molecular weight of 728.90 g/mol, XLogP of 14.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1-benzofuran-2-yl)-3-[1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]indole is sourced from PubChem (CID 141186222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).