1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane

C129H153N3 — CID 167666691

About 1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane

1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane (PubChem CID 167666691) has the molecular formula C129H153N3 and a molecular weight of 1745.66 g/mol. Its IUPAC name is 1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane.

Molecular Properties

• Compound Name: 1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane
• PubChem CID: 167666691
• Molecular Formula: C129H153N3
• Molecular Weight: 1745.66 g/mol
• Exact Mass: 1744.21
• IUPAC Name: 1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3c(cc4c5ccccc5n-2c14)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3c(cc4c5ccccc5n-2c14)Cc1ccccc1-3.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(c4c5ccccc5n-2c14)-c1ccccc1C3
• InChI: InChI=1S/3C33H21N.15C2H6/c1-3-9-23-20(8-1)17-27-25(23)13-14-30-28(27)18-22-16-21-15-19-7-2-4-10-24(19)31(21)32-26-11-5-6-12-29(26)34(30)33(22)32;1-3-9-22-20(8-1)16-26-24(22)13-14-31-27(26)18-29-32-21(15-19-7-2-4-10-23(19)32)17-28-25-11-5-6-12-30(25)34(31)33(28)29;1-3-9-21-19(7-1)15-25-23(21)13-14-32-28(25)18-30-26-16-20-8-2-4-10-22(20)27(26)17-29-24-11-5-6-12-31(24)34(32)33(29)30;15*1-2/h1-14,16H,15,17-18H2;2*1-14,17H,15-16,18H2;15*1-2H3
• InChIKey: STBNHVDJMDFOCM-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[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane?

The IUPAC name of 1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane (CID 167666691) is 1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane.

What is the SMILES notation for 1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane?

The canonical SMILES for 1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3c(cc4c5ccccc5n-2c14)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3c(cc4c5ccccc5n-2c14)Cc1ccccc1-3.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(c4c5ccccc5n-2c14)-c1ccccc1C3.

What is the InChIKey of 1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane?

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

What are the key properties of 1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane?

1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-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[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane is sourced from PubChem (CID 167666691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).