1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane

C129H153N3 — CID 167644230

About 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane

1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane (PubChem CID 167644230) has the molecular formula C129H153N3 and a molecular weight of 1745.66 g/mol. Its IUPAC name is 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane.

Molecular Properties

• Compound Name: 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane
• PubChem CID: 167644230
• Molecular Formula: C129H153N3
• Molecular Weight: 1745.66 g/mol
• Exact Mass: 1744.21
• IUPAC Name: 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1c1cccc3c1n2-c1c(ccc2c1-c1ccccc1C2)C3.c1ccc2c(c1)Cc1cc3c(cc1-2)c1cccc2c1n3-c1c(ccc3c1Cc1ccccc1-3)C2.c1ccc2c(c1)Cc1cc3c4cccc5c4n(c3cc1-2)-c1c(ccc2c1Cc1ccccc1-2)C5
• InChI: InChI=1S/3C33H21N.15C2H6/c1-4-10-25-19(6-1)14-23-17-31-29(18-28(23)25)27-11-5-8-21-15-22-12-13-26-24-9-3-2-7-20(24)16-30(26)33(22)34(31)32(21)27;1-4-10-25-19(6-1)14-23-17-29-27-11-5-8-21-15-22-12-13-26-24-9-3-2-7-20(24)16-30(26)33(22)34(32(21)27)31(29)18-28(23)25;1-3-9-24-20(7-1)18-28-26(24)14-15-29-31(28)27-11-5-8-22-17-23-13-12-21-16-19-6-2-4-10-25(19)30(21)33(23)34(29)32(22)27;15*1-2/h2*1-13,17-18H,14-16H2;1-15H,16-18H2;15*1-2H3
• InChIKey: PPQGFJRHUQTLQG-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[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane?

The IUPAC name of 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane (CID 167644230) is 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane.

What is the SMILES notation for 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane?

The canonical SMILES for 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1c1cccc3c1n2-c1c(ccc2c1-c1ccccc1C2)C3.c1ccc2c(c1)Cc1cc3c(cc1-2)c1cccc2c1n3-c1c(ccc3c1Cc1ccccc1-3)C2.c1ccc2c(c1)Cc1cc3c4cccc5c4n(c3cc1-2)-c1c(ccc2c1Cc1ccccc1-2)C5.

What is the InChIKey of 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane?

The InChIKey is PPQGFJRHUQTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C33H21N.15C2H6/c1-4-10-25-19(6-1)14-23-17-31-29(18-28(23)25)27-11-5-8-21-15-22-12-13-26-24-9-3-2-7-20(24)16-30(26)33(22)34(31)32(21)27;1-4-10-25-19(6-1)14-23-17-29-27-11-5-8-21-15-22-12-13-26-24-9-3-2-7-20(24)16-30(26)33(22)34(32(21)27)31(29)18-28(23)25;1-3-9-24-20(7-1)18-28-26(24)14-15-29-31(28)27-11-5-8-22-17-23-13-12-21-16-19-6-2-4-10-25(19)30(21)33(23)34(29)32(22)27;15*1-2/h2*1-13,17-18H,14-16H2;1-15H,16-18H2;15*1-2H3.

What are the key properties of 1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane?

1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-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[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane is sourced from PubChem (CID 167644230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).