6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene

C54H28N2O2 — CID 154591200

About 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene

6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene (PubChem CID 154591200) has the molecular formula C54H28N2O2 and a molecular weight of 736.83 g/mol. Its IUPAC name is 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene
• PubChem CID: 154591200
• Molecular Formula: C54H28N2O2
• Molecular Weight: 736.83 g/mol
• Exact Mass: 736.22
• IUPAC Name: 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene
• SMILES: c1ccc2c(c1)oc1cc(-c3ccc4c5c6c7ccccc7n7c8cc(-c9ccc%10c(c9)oc9ccccc9%10)ccc8c(c8c9ccccc9n(c4c3)c85)c67)ccc12
• InChI: InChI=1S/C54H28N2O2/c1-5-13-41-37(11-1)49-51-39-23-19-30(32-18-22-36-34-10-4-8-16-46(34)58-48(36)28-32)26-44(39)56-42-14-6-2-12-38(42)50(54(51)56)52-40-24-20-29(25-43(40)55(41)53(49)52)31-17-21-35-33-9-3-7-15-45(33)57-47(35)27-31/h1-28H
• InChIKey: TXKXZIACYWNWAG-UHFFFAOYSA-N
• XLogP: 15.12
• TPSA: 35.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.83
LogP ≤ 5	15.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

The IUPAC name of 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene (CID 154591200) is 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene.

What is the SMILES notation for 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

The canonical SMILES for 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene is c1ccc2c(c1)oc1cc(-c3ccc4c5c6c7ccccc7n7c8cc(-c9ccc%10c(c9)oc9ccccc9%10)ccc8c(c8c9ccccc9n(c4c3)c85)c67)ccc12.

What is the InChIKey of 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

The InChIKey is TXKXZIACYWNWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H28N2O2/c1-5-13-41-37(11-1)49-51-39-23-19-30(32-18-22-36-34-10-4-8-16-46(34)58-48(36)28-32)26-44(39)56-42-14-6-2-12-38(42)50(54(51)56)52-40-24-20-29(25-43(40)55(41)53(49)52)31-17-21-35-33-9-3-7-15-45(33)57-47(35)27-31/h1-28H.

What are the key properties of 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene has a molecular weight of 736.83 g/mol, XLogP of 15.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene is sourced from PubChem (CID 154591200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).