1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene

C99H66N6 — CID 167533761

About 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene

1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene (PubChem CID 167533761) has the molecular formula C99H66N6 and a molecular weight of 1339.66 g/mol. Its IUPAC name is 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene.

Molecular Properties

• Compound Name: 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene
• PubChem CID: 167533761
• Molecular Formula: C99H66N6
• Molecular Weight: 1339.66 g/mol
• Exact Mass: 1338.53
• IUPAC Name: 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene
• SMILES: c1ccc2c(c1)Cc1cc3c(cc1-2)N1c2ccc4c(c2Cc2ccnc(c21)C3)-c1ccccc1C4.c1ccc2c(c1)Cc1cc3c(cc1-2)N1c2ccc4c(c2Cc2cncc(c21)C3)-c1ccccc1C4.c1ccc2c(c1)Cc1cc3c(cc1-2)N1c2ccc4c(c2Cc2nccc(c21)C3)-c1ccccc1C4
• InChI: InChI=1S/3C33H22N2/c1-3-7-26-19(5-1)12-22-13-23-14-24-17-34-18-25-15-29-30(35(33(24)25)31(23)16-28(22)26)10-9-21-11-20-6-2-4-8-27(20)32(21)29;1-3-7-25-19(5-1)14-23-15-24-17-29-33-22(11-12-34-29)16-28-30(35(33)31(24)18-27(23)25)10-9-21-13-20-6-2-4-8-26(20)32(21)28;1-3-7-25-19(5-1)14-23-16-24-15-22-11-12-34-29-17-28-30(35(33(22)29)31(24)18-27(23)25)10-9-21-13-20-6-2-4-8-26(20)32(21)28/h1-10,13,16-18H,11-12,14-15H2;1-12,15,18H,13-14,16-17H2;1-12,16,18H,13-15,17H2
• InChIKey: AHSLABYPIZNZOT-UHFFFAOYSA-N
• XLogP: 22.51
• TPSA: 48.39 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1339.66
LogP ≤ 5	22.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene?

The IUPAC name of 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene (CID 167533761) is 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene.

What is the SMILES notation for 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene?

The canonical SMILES for 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)N1c2ccc4c(c2Cc2ccnc(c21)C3)-c1ccccc1C4.c1ccc2c(c1)Cc1cc3c(cc1-2)N1c2ccc4c(c2Cc2cncc(c21)C3)-c1ccccc1C4.c1ccc2c(c1)Cc1cc3c(cc1-2)N1c2ccc4c(c2Cc2nccc(c21)C3)-c1ccccc1C4.

What is the InChIKey of 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene?

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

What are the key properties of 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene?

1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene has a molecular weight of 1339.66 g/mol, XLogP of 22.51, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene is sourced from PubChem (CID 167533761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).