2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane

C178H235N5 — CID 158281471

About 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane

2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane (PubChem CID 158281471) has the molecular formula C178H235N5 and a molecular weight of 2444.87 g/mol. Its IUPAC name is 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane.

Molecular Properties

• Compound Name: 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane
• PubChem CID: 158281471
• Molecular Formula: C178H235N5
• Molecular Weight: 2444.87 g/mol
• Exact Mass: 2442.85
• IUPAC Name: 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane
• SMILES: C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c3ccc4c(c3n3cccc3c12)-c1ccccc1C4.c1ccc2c(c1)Cc1c-2ccc2c3ccccc3c3cccn3c12.c1ccc2c(c1)Cc1cc3c(cc1-2)c1ccc2c(c1n1cccc31)Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1ccccc1c1cccn13.c1ccc2c(c1)Cc1ccc3c4ccccc4c4cccn4c3c1-2
• InChI: InChI=1S/2C30H19N.3C23H15N.22C2H6.5CH4/c1-4-9-22-18(6-1)14-20-16-27-26(17-25(20)22)24-12-11-23-21-8-3-2-7-19(21)15-28(23)30(24)31-13-5-10-29(27)31;1-3-8-21-19(7-1)17-26-23(21)13-14-24-25-12-11-20-16-18-6-2-4-9-22(18)28(20)30(25)31-15-5-10-27(31)29(24)26;1-2-7-17-15(6-1)14-16-11-12-20-18-8-3-4-9-19(18)21-10-5-13-24(21)23(20)22(16)17;1-2-7-16-15(6-1)14-21-18(16)11-12-20-17-8-3-4-9-19(17)22-10-5-13-24(22)23(20)21;1-2-7-17-15(6-1)12-16-13-23-21(14-20(16)17)18-8-3-4-9-19(18)22-10-5-11-24(22)23;22*1-2;;;;;/h1-13,16-17H,14-15H2;1-15H,16-17H2;2*1-13H,14H2;1-11,13-14H,12H2;22*1-2H3;5*1H4
• InChIKey: GKGOCTXYWAMKIK-UHFFFAOYSA-N
• XLogP: 57.98
• TPSA: 22.05 Ų
• H-Bond Acceptors: 5
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2444.87
LogP ≤ 5	57.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane?

The IUPAC name of 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane (CID 158281471) is 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane.

What is the SMILES notation for 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane?

The canonical SMILES for 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane is C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c3ccc4c(c3n3cccc3c12)-c1ccccc1C4.c1ccc2c(c1)Cc1c-2ccc2c3ccccc3c3cccn3c12.c1ccc2c(c1)Cc1cc3c(cc1-2)c1ccc2c(c1n1cccc31)Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1ccccc1c1cccn13.c1ccc2c(c1)Cc1ccc3c4ccccc4c4cccn4c3c1-2.

What is the InChIKey of 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane?

The InChIKey is GKGOCTXYWAMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H19N.3C23H15N.22C2H6.5CH4/c1-4-9-22-18(6-1)14-20-16-27-26(17-25(20)22)24-12-11-23-21-8-3-2-7-19(21)15-28(23)30(24)31-13-5-10-29(27)31;1-3-8-21-19(7-1)17-26-23(21)13-14-24-25-12-11-20-16-18-6-2-4-9-22(18)28(20)30(25)31-15-5-10-27(31)29(24)26;1-2-7-17-15(6-1)14-16-11-12-20-18-8-3-4-9-19(18)21-10-5-13-24(21)23(20)22(16)17;1-2-7-16-15(6-1)14-21-18(16)11-12-20-17-8-3-4-9-19(17)22-10-5-13-24(22)23(20)21;1-2-7-17-15(6-1)12-16-13-23-21(14-20(16)17)18-8-3-4-9-19(18)22-10-5-11-24(22)23;22*1-2;;;;;/h1-13,16-17H,14-15H2;1-15H,16-17H2;2*1-13H,14H2;1-11,13-14H,12H2;22*1-2H3;5*1H4.

What are the key properties of 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane?

2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane has a molecular weight of 2444.87 g/mol, XLogP of 57.98, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane is sourced from PubChem (CID 158281471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).