1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene

C33H22N2 — CID 167649444

About 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene

1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene (PubChem CID 167649444) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene.

Molecular Properties

• Compound Name: 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene
• PubChem CID: 167649444
• Molecular Formula: C33H22N2
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.18
• IUPAC Name: 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene
• SMILES: c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2c(c1-3)Cc1cccc3c1N2c1ncccc1C3
• InChI: InChI=1S/C33H22N2/c1-2-9-26-19(5-1)13-24-18-28-25(17-27(24)26)14-20-10-11-30-29(31(20)28)16-22-7-3-6-21-15-23-8-4-12-34-33(23)35(30)32(21)22/h1-12,17-18H,13-16H2
• InChIKey: FFJROHNRGWTKKR-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene?

The IUPAC name of 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene (CID 167649444) is 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene.

What is the SMILES notation for 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene?

The canonical SMILES for 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2c(c1-3)Cc1cccc3c1N2c1ncccc1C3.

What is the InChIKey of 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene?

The InChIKey is FFJROHNRGWTKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-2-9-26-19(5-1)13-24-18-28-25(17-27(24)26)14-20-10-11-30-29(31(20)28)16-22-7-3-6-21-15-23-8-4-12-34-33(23)35(30)32(21)22/h1-12,17-18H,13-16H2.

What are the key properties of 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene?

1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene has a molecular weight of 446.55 g/mol, XLogP of 7.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene is sourced from PubChem (CID 167649444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).