1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane

C129H153N3 — CID 167536080

About 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane

1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane (PubChem CID 167536080) has the molecular formula C129H153N3 and a molecular weight of 1745.66 g/mol. Its IUPAC name is 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane.

Molecular Properties

• Compound Name: 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane
• PubChem CID: 167536080
• Molecular Formula: C129H153N3
• Molecular Weight: 1745.66 g/mol
• Exact Mass: 1744.21
• IUPAC Name: 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cccc3c4ccc5c(c4n-2c13)-c1ccccc1C5.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cccc3c4ccc5c(c4n-2c13)Cc1ccccc1-5.c1ccc2c(c1)Cc1cc3c(cc1-2)c1cccc2c1n3-c1ccc3c(c1C2)Cc1ccccc1-3
• InChI: InChI=1S/3C33H21N.15C2H6/c1-4-10-24-19(6-1)14-22-17-32-30(18-27(22)24)26-11-5-8-21-16-29-28-15-20-7-2-3-9-23(20)25(28)12-13-31(29)34(32)33(21)26;1-3-9-23-20(7-1)17-28-25(23)14-15-30-29(28)18-22-8-5-11-26-27-13-12-21-16-19-6-2-4-10-24(19)31(21)33(27)34(30)32(22)26;1-3-9-22-19(6-1)16-28-24(22)14-15-31-29(28)18-21-8-5-11-26-27-13-12-25-23-10-4-2-7-20(23)17-30(25)33(27)34(31)32(21)26;15*1-2/h1-13,17-18H,14-16H2;2*1-15H,16-18H2;15*1-2H3
• InChIKey: AOTZPEQZRPTEQB-UHFFFAOYSA-N
• XLogP: 38.88
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1745.66
LogP ≤ 5	38.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane?

The IUPAC name of 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane (CID 167536080) is 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane.

What is the SMILES notation for 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane?

The canonical SMILES for 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cccc3c4ccc5c(c4n-2c13)-c1ccccc1C5.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cccc3c4ccc5c(c4n-2c13)Cc1ccccc1-5.c1ccc2c(c1)Cc1cc3c(cc1-2)c1cccc2c1n3-c1ccc3c(c1C2)Cc1ccccc1-3.

What is the InChIKey of 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane?

The InChIKey is AOTZPEQZRPTEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C33H21N.15C2H6/c1-4-10-24-19(6-1)14-22-17-32-30(18-27(22)24)26-11-5-8-21-16-29-28-15-20-7-2-3-9-23(20)25(28)12-13-31(29)34(32)33(21)26;1-3-9-23-20(7-1)17-28-25(23)14-15-30-29(28)18-22-8-5-11-26-27-13-12-21-16-19-6-2-4-10-24(19)31(21)33(27)34(30)32(22)26;1-3-9-22-19(6-1)16-28-24(22)14-15-31-29(28)18-21-8-5-11-26-27-13-12-25-23-10-4-2-7-20(23)17-30(25)33(27)34(31)32(21)26;15*1-2/h1-13,17-18H,14-16H2;2*1-15H,16-18H2;15*1-2H3.

What are the key properties of 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane?

1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane has a molecular weight of 1745.66 g/mol, XLogP of 38.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane is sourced from PubChem (CID 167536080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).