27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene

C33H21N — CID 167606385

About 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene

27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene (PubChem CID 167606385) has the molecular formula C33H21N and a molecular weight of 431.54 g/mol. Its IUPAC name is 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene.

Molecular Properties

• Compound Name: 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene
• PubChem CID: 167606385
• Molecular Formula: C33H21N
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.17
• IUPAC Name: 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene
• SMILES: c1ccc2c(c1)Cc1cc3c(cc1-2)-c1c(cc2c4c1c1ccccc1n4-c1ccccc1C2)C3
• InChI: InChI=1S/C33H21N/c1-3-9-25-19(7-1)13-21-15-22-16-23-17-24-14-20-8-2-5-11-29(20)34-30-12-6-4-10-26(30)32(33(24)34)31(23)28(22)18-27(21)25/h1-12,15,17-18H,13-14,16H2
• InChIKey: IUFGELPTHMIMPP-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 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene?

The IUPAC name of 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene (CID 167606385) is 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene.

What is the SMILES notation for 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene?

The canonical SMILES for 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)-c1c(cc2c4c1c1ccccc1n4-c1ccccc1C2)C3.

What is the InChIKey of 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene?

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

What are the key properties of 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene?

27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-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 27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene is sourced from PubChem (CID 167606385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).