20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene

C54H28BNO4 — CID 174007963

About 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene

20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene (PubChem CID 174007963) has the molecular formula C54H28BNO4 and a molecular weight of 765.63 g/mol. Its IUPAC name is 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene.

Molecular Properties

• Compound Name: 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene
• PubChem CID: 174007963
• Molecular Formula: C54H28BNO4
• Molecular Weight: 765.63 g/mol
• Exact Mass: 765.21
• IUPAC Name: 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene
• SMILES: c1ccc2c(c1)oc1cc(N3c4cc5oc6ccccc6c5cc4B4c5cc6c(cc5-c5cc(-c7cccc8c7oc7ccccc78)cc3c54)oc3ccccc36)ccc12
• InChI: InChI=1S/C54H28BNO4/c1-5-16-46-32(10-1)36-21-20-30(24-50(36)57-46)56-44-28-52-40(35-13-4-7-18-48(35)59-52)26-43(44)55-42-25-39-34-12-3-6-17-47(34)58-51(39)27-38(42)41-22-29(23-45(56)53(41)55)31-14-9-15-37-33-11-2-8-19-49(33)60-54(31)37/h1-28H
• InChIKey: GGTSLADGIIRDGR-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 55.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.63
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene?

The IUPAC name of 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene (CID 174007963) is 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene.

What is the SMILES notation for 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene?

The canonical SMILES for 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene is c1ccc2c(c1)oc1cc(N3c4cc5oc6ccccc6c5cc4B4c5cc6c(cc5-c5cc(-c7cccc8c7oc7ccccc78)cc3c54)oc3ccccc36)ccc12.

What is the InChIKey of 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene?

The InChIKey is GGTSLADGIIRDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H28BNO4/c1-5-16-46-32(10-1)36-21-20-30(24-50(36)57-46)56-44-28-52-40(35-13-4-7-18-48(35)59-52)26-43(44)55-42-25-39-34-12-3-6-17-47(34)58-51(39)27-38(42)41-22-29(23-45(56)53(41)55)31-14-9-15-37-33-11-2-8-19-49(33)60-54(31)37/h1-28H.

What are the key properties of 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene?

20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene has a molecular weight of 765.63 g/mol, XLogP of 13.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene is sourced from PubChem (CID 174007963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).