2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole

C44H23N5O4 — CID 126749774

About 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole

2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole (PubChem CID 126749774) has the molecular formula C44H23N5O4 and a molecular weight of 685.70 g/mol. Its IUPAC name is 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole.

Molecular Properties

• Compound Name: 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole
• PubChem CID: 126749774
• Molecular Formula: C44H23N5O4
• Molecular Weight: 685.70 g/mol
• Exact Mass: 685.18
• IUPAC Name: 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole
• SMILES: c1ccc2c(c1)oc1c2c2ccccc2n1-c1ccc2oc3c(c2c1)c1ccccc1n3-c1noc(-n2c3ccccc3c3c4ccccc4oc32)n1
• InChI: InChI=1S/C44H23N5O4/c1-6-16-31-25(11-1)37-28-14-4-9-19-34(28)50-40(37)47(31)24-21-22-36-30(23-24)39-26-12-2-7-17-32(26)48(41(39)52-36)43-45-44(53-46-43)49-33-18-8-3-13-27(33)38-29-15-5-10-20-35(29)51-42(38)49/h1-23H
• InChIKey: MHMWXVUWFOFYLM-UHFFFAOYSA-N
• XLogP: 11.60
• TPSA: 93.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.70
LogP ≤ 5	11.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole?

The IUPAC name of 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole (CID 126749774) is 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole.

What is the SMILES notation for 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole?

The canonical SMILES for 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole is c1ccc2c(c1)oc1c2c2ccccc2n1-c1ccc2oc3c(c2c1)c1ccccc1n3-c1noc(-n2c3ccccc3c3c4ccccc4oc32)n1.

What is the InChIKey of 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole?

The InChIKey is MHMWXVUWFOFYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H23N5O4/c1-6-16-31-25(11-1)37-28-14-4-9-19-34(28)50-40(37)47(31)24-21-22-36-30(23-24)39-26-12-2-7-17-32(26)48(41(39)52-36)43-45-44(53-46-43)49-33-18-8-3-13-27(33)38-29-15-5-10-20-35(29)51-42(38)49/h1-23H.

What are the key properties of 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole?

2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole has a molecular weight of 685.70 g/mol, XLogP of 11.60, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-([1]benzofuro[2,3-b]indol-6-yl)-6-[5-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-3-yl]-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 126749774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).