1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene

C132H88N8 — CID 167630710

About 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene

1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene (PubChem CID 167630710) has the molecular formula C132H88N8 and a molecular weight of 1786.21 g/mol. Its IUPAC name is 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene
• PubChem CID: 167630710
• Molecular Formula: C132H88N8
• Molecular Weight: 1786.21 g/mol
• Exact Mass: 1784.71
• IUPAC Name: 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene
• SMILES: c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3c(cc4c1N2c1ccncc1C4)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3c(cc4c1N2c1cnccc1C4)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3c(cc4c1N2c1ncccc1C4)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2ccc2c1Cc1nccc3c1N2c1c(ccc2c1Cc1ccccc1-2)C3
• InChI: InChI=1S/4C33H22N2/c1-3-9-23-19(6-1)15-27-25(23)11-12-31-29(27)18-30-28-16-20-7-2-4-10-24(20)26(28)17-22-14-21-8-5-13-34-33(21)35(31)32(22)30;1-3-7-23-19(5-1)14-27-25(23)9-10-32-29(27)17-30-28-15-20-6-2-4-8-24(20)26(28)16-21-13-22-18-34-12-11-31(22)35(32)33(21)30;1-3-7-23-19(5-1)14-27-25(23)9-10-31-29(27)17-30-28-15-20-6-2-4-8-24(20)26(28)16-22-13-21-11-12-34-18-32(21)35(31)33(22)30;1-3-7-23-19(5-1)16-27-25(23)11-12-31-28(27)18-30-33-22(13-14-34-30)15-21-9-10-26-24-8-4-2-6-20(24)17-29(26)32(21)35(31)33/h1-13,17H,14-16,18H2;2*1-12,16,18H,13-15,17H2;1-14H,15-18H2
• InChIKey: NTHFZSRUORPXTO-UHFFFAOYSA-N
• XLogP: 30.01
• TPSA: 64.52 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1786.21
LogP ≤ 5	30.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene?

The IUPAC name of 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene (CID 167630710) is 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene.

What is the SMILES notation for 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene?

The canonical SMILES for 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene is c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3c(cc4c1N2c1ccncc1C4)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3c(cc4c1N2c1cnccc1C4)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3c(cc4c1N2c1ncccc1C4)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2ccc2c1Cc1nccc3c1N2c1c(ccc2c1Cc1ccccc1-2)C3.

What is the InChIKey of 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene?

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

What are the key properties of 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene?

1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene has a molecular weight of 1786.21 g/mol, XLogP of 30.01, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene is sourced from PubChem (CID 167630710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).