5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole

C48H28N2O2S2 — CID 141360527

IUPAC5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole
SMILESc1ccc2oc(-c3c(-c4cc5ccccc5s4)cc4c(-c5ccn6ccccc56)[nH]c(-c5scc6ccccc56)c4c3-c3occ4ccccc34)cc2c1
InChIInChI=1S/C48H28N2O2S2/c1-5-15-32-30(13-1)26-51-47(32)44-42(39-23-28-11-3-7-18-38(28)52-39)35(41-24-29-12-4-8-19-40(29)54-41)25-36-43(44)46(48-33-16-6-2-14-31(33)27-53-48)49-45(36)34-20-22-50-21-10-9-17-37(34)50/h1-27,49H
InChIKeyJUAJKZHHTPVFKQ-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.68
Rot. Bonds5

About 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole

5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole (PubChem CID 141360527) has the molecular formula C48H28N2O2S2 and a molecular weight of 728.90 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole
PubChem CID141360527
Molecular FormulaC48H28N2O2S2
Molecular Weight728.90 g/mol
Exact Mass728.16
IUPAC Name5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole
SMILESc1ccc2oc(-c3c(-c4cc5ccccc5s4)cc4c(-c5ccn6ccccc56)[nH]c(-c5scc6ccccc56)c4c3-c3occ4ccccc34)cc2c1
InChIInChI=1S/C48H28N2O2S2/c1-5-15-32-30(13-1)26-51-47(32)44-42(39-23-28-11-3-7-18-38(28)52-39)35(41-24-29-12-4-8-19-40(29)54-41)25-36-43(44)46(48-33-16-6-2-14-31(33)27-53-48)49-45(36)34-20-22-50-21-10-9-17-37(34)50/h1-27,49H
InChIKeyJUAJKZHHTPVFKQ-UHFFFAOYSA-N
XLogP14.68
TPSA46.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole with MolForge

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Related Compounds

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
8-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544120
8-[3-[6-[6-[6-[3-(4,8,12-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-4-yl]dibenzothiophen-4-yl]dibenzofuran-4-yl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059133
9-Dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 58501567
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indole;2H-isoindole
CID 69494068
9-[8-[5-(8-Dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole
CID 89433865
3-[4-(1-Benzothiophen-7-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 89609878
8-[3-(9-Dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
CID 89850222
8-[3-[(9-Dibenzofuran-2-ylcarbazol-3-yl)methyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
CID 89850232
4-[3-[3-(9-Dibenzofuran-2-ylcarbazol-3-yl)oxycarbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 89850236
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

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole?
The IUPAC name of 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole (CID 141360527) is 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole?
The canonical SMILES for 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole is c1ccc2oc(-c3c(-c4cc5ccccc5s4)cc4c(-c5ccn6ccccc56)[nH]c(-c5scc6ccccc56)c4c3-c3occ4ccccc34)cc2c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole?
The InChIKey is JUAJKZHHTPVFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2S2/c1-5-15-32-30(13-1)26-51-47(32)44-42(39-23-28-11-3-7-18-38(28)52-39)35(41-24-29-12-4-8-19-40(29)54-41)25-36-43(44)46(48-33-16-6-2-14-31(33)27-53-48)49-45(36)34-20-22-50-21-10-9-17-37(34)50/h1-27,49H.
What are the key properties of 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole?
5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole has a molecular weight of 728.90 g/mol, XLogP of 14.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole is sourced from PubChem (CID 141360527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).