1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene

C33H21N — CID 167594135

About 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene

1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene (PubChem CID 167594135) has the molecular formula C33H21N and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene.

Molecular Properties

• Compound Name: 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene
• PubChem CID: 167594135
• Molecular Formula: C33H21N
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.17
• IUPAC Name: 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene
• SMILES: c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c4cc5c(cc4n-3c12)-c1ccccc1C5
• InChI: InChI=1S/C33H21N/c1-3-9-25-20(7-1)13-23-17-31-24(16-28(23)25)14-21-8-5-11-27-30-15-22-12-19-6-2-4-10-26(19)29(22)18-32(30)34(31)33(21)27/h1-11,15-18H,12-14H2
• InChIKey: UNSCRWYOWMJOAG-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[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene?

The IUPAC name of 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene (CID 167594135) is 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene.

What is the SMILES notation for 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene?

The canonical SMILES for 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c4cc5c(cc4n-3c12)-c1ccccc1C5.

What is the InChIKey of 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene?

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

What are the key properties of 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene?

1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-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[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene is sourced from PubChem (CID 167594135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).