4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene

C196H119N21 — CID 161053194

About 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene

4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene (PubChem CID 161053194) has the molecular formula C196H119N21 and a molecular weight of 2768.25 g/mol. Its IUPAC name is 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene.

Molecular Properties

• Compound Name: 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene
• PubChem CID: 161053194
• Molecular Formula: C196H119N21
• Molecular Weight: 2768.25 g/mol
• Exact Mass: 2766.00
• IUPAC Name: 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene
• SMILES: c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccc3c(c1-2)c1ncccc1n1ccnc31.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1c(ccc2c1c1ncccc1n1ccnc21)C3.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1c(ccc2c4ncccc4n4ccnc4c12)C3.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)c1nccn1c1cccnc21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2c(c1-3)c1ncccc1n1ccnc21.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c(cc1C3)c1nccn1c1cccnc21.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1ccc2c(c1-3)c1ncccc1n1ccnc21
• InChI: InChI=1S/7C28H17N3/c1-2-5-19-16(4-1)14-17-7-9-20-22(24(17)19)15-18-8-10-21-26(25(18)20)27-23(6-3-11-29-27)31-13-12-30-28(21)31;1-2-5-18-16(4-1)14-22-19(18)9-10-20-23(22)15-17-7-8-21-26(25(17)20)27-24(6-3-11-29-27)31-13-12-30-28(21)31;1-2-5-20-16(4-1)12-18-15-23-19(14-22(18)20)13-17-7-8-21-26(25(17)23)27-24(6-3-9-29-27)31-11-10-30-28(21)31;1-2-5-20-16(4-1)12-18-14-19-13-17-7-8-21-26(25(17)23(19)15-22(18)20)27-24(6-3-9-29-27)31-11-10-30-28(21)31;1-2-5-20-16(4-1)12-18-14-19-13-17-7-8-21-26(25(17)23(19)15-22(18)20)28-30-10-11-31(28)24-6-3-9-29-27(21)24;1-2-5-20-16(4-1)12-17-7-8-18-13-19-14-23-22(15-21(19)26(18)25(17)20)27-24(6-3-9-29-27)31-11-10-30-28(23)31;1-2-5-20-16(4-1)10-17-11-18-12-19-13-25-24(15-23(19)22(18)14-21(17)20)27-26(6-3-7-29-27)31-9-8-30-28(25)31/h2*1-13H,14-15H2;4*1-11,14-15H,12-13H2;1-9,11,13-15H,10,12H2
• InChIKey: UCKDJZXJUAGGNF-UHFFFAOYSA-N
• XLogP: 43.25
• TPSA: 211.33 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2768.25
LogP ≤ 5	43.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene?

The IUPAC name of 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene (CID 161053194) is 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene.

What is the SMILES notation for 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene?

The canonical SMILES for 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene is c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccc3c(c1-2)c1ncccc1n1ccnc31.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1c(ccc2c1c1ncccc1n1ccnc21)C3.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1c(ccc2c4ncccc4n4ccnc4c12)C3.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)c1nccn1c1cccnc21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2c(c1-3)c1ncccc1n1ccnc21.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c(cc1C3)c1nccn1c1cccnc21.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1ccc2c(c1-3)c1ncccc1n1ccnc21.

What is the InChIKey of 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene?

The InChIKey is UCKDJZXJUAGGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/7C28H17N3/c1-2-5-19-16(4-1)14-17-7-9-20-22(24(17)19)15-18-8-10-21-26(25(18)20)27-23(6-3-11-29-27)31-13-12-30-28(21)31;1-2-5-18-16(4-1)14-22-19(18)9-10-20-23(22)15-17-7-8-21-26(25(17)20)27-24(6-3-11-29-27)31-13-12-30-28(21)31;1-2-5-20-16(4-1)12-18-15-23-19(14-22(18)20)13-17-7-8-21-26(25(17)23)27-24(6-3-9-29-27)31-11-10-30-28(21)31;1-2-5-20-16(4-1)12-18-14-19-13-17-7-8-21-26(25(17)23(19)15-22(18)20)27-24(6-3-9-29-27)31-11-10-30-28(21)31;1-2-5-20-16(4-1)12-18-14-19-13-17-7-8-21-26(25(17)23(19)15-22(18)20)28-30-10-11-31(28)24-6-3-9-29-27(21)24;1-2-5-20-16(4-1)12-17-7-8-18-13-19-14-23-22(15-21(19)26(18)25(17)20)27-24(6-3-9-29-27)31-11-10-30-28(23)31;1-2-5-20-16(4-1)10-17-11-18-12-19-13-25-24(15-23(19)22(18)14-21(17)20)27-26(6-3-7-29-27)31-9-8-30-28(25)31/h2*1-13H,14-15H2;4*1-11,14-15H,12-13H2;1-9,11,13-15H,10,12H2.

What are the key properties of 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene?

4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene has a molecular weight of 2768.25 g/mol, XLogP of 43.25, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7,12-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),21,23,25,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20(28),22,24,26,29-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19,21(29),22,24,26,30-tetradecaene;4,9,12-triazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,19(31),20,23,25,27,29-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),20,22,24,28-tetradecaene;5,8,13-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene is sourced from PubChem (CID 161053194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).