7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene

C174H94N22O7S+12 — CID 159149565

About 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene

7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene (PubChem CID 159149565) has the molecular formula C174H94N22O7S+12 and a molecular weight of 2636.88 g/mol. Its IUPAC name is 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene.

Molecular Properties

• Compound Name: 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene
• PubChem CID: 159149565
• Molecular Formula: C174H94N22O7S+12
• Molecular Weight: 2636.88 g/mol
• Exact Mass: 2634.73
• IUPAC Name: 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene
• SMILES: Cn1ccc2c1[n+]1c3c4c5c(ccc4c4ccccc4n23)Oc2cccc3c2C51[n+]1ccccc1-3.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccccc5n5c6ccoc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccccc5n5c6ccsc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccccc5n5cc[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cnccc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccnc5n5c6ccccc6[n+]1c5c34)O2
• InChI: InChI=1S/C30H18N4O.C30H16N4O.C29H15N5O.C29H15N3O2.C29H15N3OS.C27H15N3O/c1-31-16-14-22-28(31)34-29-25-18(17-7-2-3-10-21(17)33(22)29)12-13-24-27(25)30(34)26-19(8-6-11-23(26)35-24)20-9-4-5-15-32(20)30;1-2-9-23-22(8-1)33-21-13-14-31-16-19(21)17-11-12-25-28-26(17)29(33)34(23)30(28)27-18(6-5-10-24(27)35-25)20-7-3-4-15-32(20)30;1-2-9-20-19(8-1)33-27-26(30-13-14-31-27)17-11-12-22-25-23(17)28(33)34(20)29(25)24-16(6-5-10-21(24)35-22)18-7-3-4-15-32(18)29;1-2-9-20-16(6-1)17-11-12-23-26-24(17)27-31(20)21-13-15-33-28(21)32(27)29(26)25-18(7-5-10-22(25)34-23)19-8-3-4-14-30(19)29;1-2-9-20-16(6-1)17-11-12-23-26-24(17)27-31(20)21-13-15-34-28(21)32(27)29(26)25-18(7-5-10-22(25)33-23)19-8-3-4-14-30(19)29;1-2-8-19-16(6-1)17-11-12-22-25-23(17)26-28(19)14-15-30(26)27(25)24-18(7-5-10-21(24)31-22)20-9-3-4-13-29(20)27/h2-16H,1H3;1-16H;1-15H;2*1-15H;1-15H/q6*+2
• InChIKey: WWQSCWMYGKOKDI-UHFFFAOYSA-N
• XLogP: 30.05
• TPSA: 185.14 Ų
• H-Bond Acceptors: 18
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2636.88
LogP ≤ 5	30.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene?

The IUPAC name of 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene (CID 159149565) is 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene.

What is the SMILES notation for 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene?

The canonical SMILES for 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene is Cn1ccc2c1[n+]1c3c4c5c(ccc4c4ccccc4n23)Oc2cccc3c2C51[n+]1ccccc1-3.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccccc5n5c6ccoc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccccc5n5c6ccsc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccccc5n5cc[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cnccc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccnc5n5c6ccccc6[n+]1c5c34)O2.

What is the InChIKey of 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene?

The InChIKey is WWQSCWMYGKOKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4O.C30H16N4O.C29H15N5O.C29H15N3O2.C29H15N3OS.C27H15N3O/c1-31-16-14-22-28(31)34-29-25-18(17-7-2-3-10-21(17)33(22)29)12-13-24-27(25)30(34)26-19(8-6-11-23(26)35-24)20-9-4-5-15-32(20)30;1-2-9-23-22(8-1)33-21-13-14-31-16-19(21)17-11-12-25-28-26(17)29(33)34(23)30(28)27-18(6-5-10-24(27)35-25)20-7-3-4-15-32(20)30;1-2-9-20-19(8-1)33-27-26(30-13-14-31-27)17-11-12-22-25-23(17)28(33)34(20)29(25)24-16(6-5-10-21(24)35-22)18-7-3-4-15-32(18)29;1-2-9-20-16(6-1)17-11-12-23-26-24(17)27-31(20)21-13-15-33-28(21)32(27)29(26)25-18(7-5-10-22(25)34-23)19-8-3-4-14-30(19)29;1-2-9-20-16(6-1)17-11-12-23-26-24(17)27-31(20)21-13-15-34-28(21)32(27)29(26)25-18(7-5-10-22(25)33-23)19-8-3-4-14-30(19)29;1-2-8-19-16(6-1)17-11-12-22-25-23(17)26-28(19)14-15-30(26)27(25)24-18(7-5-10-21(24)31-22)20-9-3-4-13-29(20)27/h2-16H,1H3;1-16H;1-15H;2*1-15H;1-15H/q6*+2.

What are the key properties of 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene?

7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene has a molecular weight of 2636.88 g/mol, XLogP of 30.05, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene is sourced from PubChem (CID 159149565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).