15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C28H15N3O2 — CID 129297840

About 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 129297840) has the molecular formula C28H15N3O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 129297840
• Molecular Formula: C28H15N3O2
• Molecular Weight: 425.45 g/mol
• Exact Mass: 425.12
• IUPAC Name: 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: c1ccc2c(c1)Oc1cccc3nc(-n4ccc5ccc6c7ccccc7oc6c54)nc-2c13
• InChI: InChI=1S/C28H15N3O2/c1-3-9-21-17(6-1)18-13-12-16-14-15-31(26(16)27(18)33-21)28-29-20-8-5-11-23-24(20)25(30-28)19-7-2-4-10-22(19)32-23/h1-15H
• InChIKey: FMHBAZJPZBXNFK-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 53.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.45
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 129297840) is 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

What is the SMILES notation for 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc2c(c1)Oc1cccc3nc(-n4ccc5ccc6c7ccccc7oc6c54)nc-2c13.

What is the InChIKey of 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is FMHBAZJPZBXNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15N3O2/c1-3-9-21-17(6-1)18-13-12-16-14-15-31(26(16)27(18)33-21)28-29-20-8-5-11-23-24(20)25(30-28)19-7-2-4-10-22(19)32-23/h1-15H.

What are the key properties of 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 425.45 g/mol, XLogP of 7.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-([1]benzofuro[3,2-g]indol-1-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 129297840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).