3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene

C208H104N24O16 — CID 163922970

About 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene

3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene (PubChem CID 163922970) has the molecular formula C208H104N24O16 and a molecular weight of 3195.27 g/mol. Its IUPAC name is 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene.

Molecular Properties

• Compound Name: 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene
• PubChem CID: 163922970
• Molecular Formula: C208H104N24O16
• Molecular Weight: 3195.27 g/mol
• Exact Mass: 3192.81
• IUPAC Name: 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene
• SMILES: c1ccc2c(c1)oc1c2c2c3ccccc3oc2c2c1c1cnccc1c1nccn12.c1ccc2c(c1)oc1c2c2oc3ccccc3c2c2c3cnccc3c3nccn3c12.c1ccc2c(c1)oc1c2ccc2c3ccc4c5ccncc5c5nccn5c4c3oc21.c1ccc2c(c1)oc1c2ccc2oc3c(ccc4c5ccncc5c5nccn5c43)c21.c1ccc2c(c1)oc1cc3c(cc12)oc1c3ccc2c3ccncc3c3nccn3c21.c1ccc2c(c1)oc1cc3oc4c(ccc5c6ccncc6c6nccn6c54)c3cc12.c1ccc2c(c1)oc1ccc3c4ccc5c6ccncc6c6nccn6c5c4oc3c12.c1ccc2c(c1)oc1ccc3oc4c(ccc5c6ccncc6c6nccn6c54)c3c12
• InChI: InChI=1S/8C26H13N3O2/c1-3-7-18-15(5-1)21-20-17-13-27-10-9-14(17)26-28-11-12-29(26)23(20)25-22(24(21)30-18)16-6-2-4-8-19(16)31-25;1-3-7-18-15(5-1)20-21-16-6-2-4-8-19(16)31-25(21)23-22(24(20)30-18)17-13-27-10-9-14(17)26-28-11-12-29(23)26;1-2-4-21-15(3-1)18-11-23-19(12-22(18)30-21)17-6-5-16-14-7-8-27-13-20(14)26-28-9-10-29(26)24(16)25(17)31-23;1-2-4-21-15(3-1)18-11-19-17-6-5-16-14-7-8-27-13-20(14)26-28-9-10-29(26)24(16)25(17)31-23(19)12-22(18)30-21;1-2-4-20-18(3-1)22-21(30-20)8-7-16-17-6-5-15-14-9-10-27-13-19(14)26-28-11-12-29(26)23(15)25(17)31-24(16)22;1-2-4-19-16(3-1)22-20(30-19)7-8-21-23(22)17-6-5-15-14-9-10-27-13-18(14)26-28-11-12-29(26)24(15)25(17)31-21;1-2-4-20-15(3-1)17-7-8-21-22(24(17)30-20)18-6-5-16-14-9-10-27-13-19(14)26-28-11-12-29(26)23(16)25(18)31-21;1-2-4-21-15(3-1)17-7-8-19-18-6-5-16-14-9-10-27-13-20(14)26-28-11-12-29(26)22(16)23(18)31-25(19)24(17)30-21/h8*1-13H
• InChIKey: RCAQYULOBLSOGH-UHFFFAOYSA-N
• XLogP: 54.68
• TPSA: 451.76 Ų
• H-Bond Acceptors: 40
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3195.27
LogP ≤ 5	54.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

The IUPAC name of 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene (CID 163922970) is 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene.

What is the SMILES notation for 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

The canonical SMILES for 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene is c1ccc2c(c1)oc1c2c2c3ccccc3oc2c2c1c1cnccc1c1nccn12.c1ccc2c(c1)oc1c2c2oc3ccccc3c2c2c3cnccc3c3nccn3c12.c1ccc2c(c1)oc1c2ccc2c3ccc4c5ccncc5c5nccn5c4c3oc21.c1ccc2c(c1)oc1c2ccc2oc3c(ccc4c5ccncc5c5nccn5c43)c21.c1ccc2c(c1)oc1cc3c(cc12)oc1c3ccc2c3ccncc3c3nccn3c21.c1ccc2c(c1)oc1cc3oc4c(ccc5c6ccncc6c6nccn6c54)c3cc12.c1ccc2c(c1)oc1ccc3c4ccc5c6ccncc6c6nccn6c5c4oc3c12.c1ccc2c(c1)oc1ccc3oc4c(ccc5c6ccncc6c6nccn6c54)c3c12.

What is the InChIKey of 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

The InChIKey is RCAQYULOBLSOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/8C26H13N3O2/c1-3-7-18-15(5-1)21-20-17-13-27-10-9-14(17)26-28-11-12-29(26)23(20)25-22(24(21)30-18)16-6-2-4-8-19(16)31-25;1-3-7-18-15(5-1)20-21-16-6-2-4-8-19(16)31-25(21)23-22(24(20)30-18)17-13-27-10-9-14(17)26-28-11-12-29(23)26;1-2-4-21-15(3-1)18-11-23-19(12-22(18)30-21)17-6-5-16-14-7-8-27-13-20(14)26-28-9-10-29(26)24(16)25(17)31-23;1-2-4-21-15(3-1)18-11-19-17-6-5-16-14-7-8-27-13-20(14)26-28-9-10-29(26)24(16)25(17)31-23(19)12-22(18)30-21;1-2-4-20-18(3-1)22-21(30-20)8-7-16-17-6-5-15-14-9-10-27-13-19(14)26-28-11-12-29(26)23(15)25(17)31-24(16)22;1-2-4-19-16(3-1)22-20(30-19)7-8-21-23(22)17-6-5-15-14-9-10-27-13-18(14)26-28-11-12-29(26)24(15)25(17)31-21;1-2-4-20-15(3-1)17-7-8-21-22(24(17)30-20)18-6-5-16-14-9-10-27-13-19(14)26-28-11-12-29(26)23(16)25(18)31-21;1-2-4-21-15(3-1)17-7-8-19-18-6-5-16-14-9-10-27-13-20(14)26-28-11-12-29(26)22(16)23(18)31-25(19)24(17)30-21/h8*1-13H.

What are the key properties of 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene has a molecular weight of 3195.27 g/mol, XLogP of 54.68, 0 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;9,18-dioxa-21,24,29-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26(31),27,29-tetradecaene;20,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),21,23,25,28-tetradecaene;21,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;26,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-dioxa-3,6,10-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene is sourced from PubChem (CID 163922970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).