17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene

C54H28BNO4 — CID 174007937

About 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene

17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene (PubChem CID 174007937) has the molecular formula C54H28BNO4 and a molecular weight of 765.63 g/mol. Its IUPAC name is 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene.

Molecular Properties

• Compound Name: 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene
• PubChem CID: 174007937
• Molecular Formula: C54H28BNO4
• Molecular Weight: 765.63 g/mol
• Exact Mass: 765.21
• IUPAC Name: 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene
• SMILES: c1ccc2c(c1)oc1ccc(-c3cc4c5c(c3)N(c3cccc6c3oc3ccccc36)c3c(ccc6c3oc3ccccc36)B5c3ccc5c(oc6ccccc65)c3-4)cc12
• InChI: InChI=1S/C54H28BNO4/c1-6-17-45-31(10-1)35-14-9-15-42(52(35)58-45)56-43-28-30(29-20-25-48-38(26-29)34-13-4-5-16-44(34)57-48)27-39-49-40(23-21-36-32-11-2-7-18-46(32)59-53(36)49)55(50(39)43)41-24-22-37-33-12-3-8-19-47(33)60-54(37)51(41)56/h1-28H
• InChIKey: UNAHMODIUMGALU-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 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene?

The IUPAC name of 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene (CID 174007937) is 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene.

What is the SMILES notation for 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene?

The canonical SMILES for 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene is c1ccc2c(c1)oc1ccc(-c3cc4c5c(c3)N(c3cccc6c3oc3ccccc36)c3c(ccc6c3oc3ccccc36)B5c3ccc5c(oc6ccccc65)c3-4)cc12.

What is the InChIKey of 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene?

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

What are the key properties of 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene?

17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-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 17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene is sourced from PubChem (CID 174007937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).