1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene

C33H21N — CID 167580378

About 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene

1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene (PubChem CID 167580378) has the molecular formula C33H21N and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene.

Molecular Properties

• Compound Name: 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene
• PubChem CID: 167580378
• Molecular Formula: C33H21N
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.17
• IUPAC Name: 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene
• SMILES: c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1ccc2c4cccc5c4n(c2c1-3)-c1ccccc1C5
• InChI: InChI=1S/C33H21N/c1-3-9-24-19(6-1)16-21-12-14-25-28(30(21)24)18-22-13-15-27-26-10-5-8-23-17-20-7-2-4-11-29(20)34(32(23)26)33(27)31(22)25/h1-15H,16-18H2
• InChIKey: KERKFZNQJPRPKD-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene?

The IUPAC name of 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene (CID 167580378) is 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene.

What is the SMILES notation for 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene?

The canonical SMILES for 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene is c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1ccc2c4cccc5c4n(c2c1-3)-c1ccccc1C5.

What is the InChIKey of 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene?

The InChIKey is KERKFZNQJPRPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N/c1-3-9-24-19(6-1)16-21-12-14-25-28(30(21)24)18-22-13-15-27-26-10-5-8-23-17-20-7-2-4-11-29(20)34(32(23)26)33(27)31(22)25/h1-15H,16-18H2.

What are the key properties of 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene?

1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene has a molecular weight of 431.54 g/mol, XLogP of 7.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene is sourced from PubChem (CID 167580378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).