22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene

C128H84N12 — CID 167645209

About 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene

22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene (PubChem CID 167645209) has the molecular formula C128H84N12 and a molecular weight of 1790.16 g/mol. Its IUPAC name is 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene.

Molecular Properties

• Compound Name: 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene
• PubChem CID: 167645209
• Molecular Formula: C128H84N12
• Molecular Weight: 1790.16 g/mol
• Exact Mass: 1788.69
• IUPAC Name: 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene
• SMILES: c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1cccnc1N4c1cccnc1C3.c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1cccnc1N4c1ccncc1C3.c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1cccnc1N4c1cnccc1C3.c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1cccnc1N4c1ncccc1C3
• InChI: InChI=1S/4C32H21N3/c1-2-8-23-18(5-1)14-26-24(23)10-9-19-15-25-27(29(19)26)17-22-13-20-6-3-11-33-31(20)35-30(22)28(25)16-21-7-4-12-34-32(21)35;1-2-7-22-18(5-1)13-25-23(22)10-9-19-14-24-26(30(19)25)16-21-17-28-29(8-4-11-33-28)35-31(21)27(24)15-20-6-3-12-34-32(20)35;1-2-6-23-18(4-1)13-26-24(23)8-7-20-14-25-27(30(20)26)16-22-12-19-9-11-33-17-29(19)35-31(22)28(25)15-21-5-3-10-34-32(21)35;1-2-6-23-18(4-1)13-26-24(23)8-7-19-14-25-27(30(19)26)16-21-12-22-17-33-11-9-29(22)35-31(21)28(25)15-20-5-3-10-34-32(20)35/h1-12,17H,13-16H2;1-12,16H,13-15,17H2;2*1-11,16-17H,12-15H2
• InChIKey: PTPPJCGETOPIED-UHFFFAOYSA-N
• XLogP: 27.59
• TPSA: 116.08 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1790.16
LogP ≤ 5	27.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene?

The IUPAC name of 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene (CID 167645209) is 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene.

What is the SMILES notation for 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene?

The canonical SMILES for 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene is c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1cccnc1N4c1cccnc1C3.c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1cccnc1N4c1ccncc1C3.c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1cccnc1N4c1cnccc1C3.c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1cccnc1N4c1ncccc1C3.

What is the InChIKey of 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene?

The InChIKey is PTPPJCGETOPIED-UHFFFAOYSA-N. The full InChI is InChI=1S/4C32H21N3/c1-2-8-23-18(5-1)14-26-24(23)10-9-19-15-25-27(29(19)26)17-22-13-20-6-3-11-33-31(20)35-30(22)28(25)16-21-7-4-12-34-32(21)35;1-2-7-22-18(5-1)13-25-23(22)10-9-19-14-24-26(30(19)25)16-21-17-28-29(8-4-11-33-28)35-31(21)27(24)15-20-6-3-12-34-32(20)35;1-2-6-23-18(4-1)13-26-24(23)8-7-20-14-25-27(30(20)26)16-22-12-19-9-11-33-17-29(19)35-31(22)28(25)15-21-5-3-10-34-32(21)35;1-2-6-23-18(4-1)13-26-24(23)8-7-19-14-25-27(30(19)26)16-21-12-22-17-33-11-9-29(22)35-31(21)28(25)15-20-5-3-10-34-32(20)35/h1-12,17H,13-16H2;1-12,16H,13-15,17H2;2*1-11,16-17H,12-15H2.

What are the key properties of 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene?

22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene has a molecular weight of 1790.16 g/mol, XLogP of 27.59, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene is sourced from PubChem (CID 167645209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).