23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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

C182H96N26O6+12 — CID 161482929

IUPAC23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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
SMILESc1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cccnc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccncc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cnccc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cnncc5[n+]5c6ccccc6n1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nc6ccccc6cc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccnc5n5c6ccccc6[n+]1c5c34)O2
InChIInChI=1S/C34H18N4O.3C30H16N4O.2C29H15N5O/c1-2-10-22-19(8-1)18-26-32(35-22)21-15-16-28-31-29(21)33-37(26)24-12-3-4-13-25(24)38(33)34(31)30-20(9-7-14-27(30)39-28)23-11-5-6-17-36(23)34;1-2-11-22-21(10-1)33-28-18(8-6-15-31-28)17-13-14-24-27-25(17)29(33)34(22)30(27)26-19(7-5-12-23(26)35-24)20-9-3-4-16-32(20)30;1-2-9-22-21(8-1)33-23-16-31-14-13-17(23)18-11-12-25-28-26(18)29(33)34(22)30(28)27-19(6-5-10-24(27)35-25)20-7-3-4-15-32(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;1-2-9-21-20(8-1)33-22-15-31-30-14-18(22)16-11-12-24-27-25(16)28(33)34(21)29(27)26-17(6-5-10-23(26)35-24)19-7-3-4-13-32(19)29/h1-18H;3*1-16H;2*1-15H/q6*+2
InChIKeyRPCMLJVDXFUMSB-UHFFFAOYSA-N
MW2742.95 g/mol
LogP30.34
Rot. Bonds

About 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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

23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 161482929) has the molecular formula C182H96N26O6+12 and a molecular weight of 2742.95 g/mol. Its IUPAC name is 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 Name23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 CID161482929
Molecular FormulaC182H96N26O6+12
Molecular Weight2742.95 g/mol
Exact Mass2740.79
IUPAC Name23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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
SMILESc1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cccnc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccncc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cnccc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cnncc5[n+]5c6ccccc6n1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nc6ccccc6cc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccnc5n5c6ccccc6[n+]1c5c34)O2
InChIInChI=1S/C34H18N4O.3C30H16N4O.2C29H15N5O/c1-2-10-22-19(8-1)18-26-32(35-22)21-15-16-28-31-29(21)33-37(26)24-12-3-4-13-25(24)38(33)34(31)30-20(9-7-14-27(30)39-28)23-11-5-6-17-36(23)34;1-2-11-22-21(10-1)33-28-18(8-6-15-31-28)17-13-14-24-27-25(17)29(33)34(22)30(27)26-19(7-5-12-23(26)35-24)20-9-3-4-16-32(20)30;1-2-9-22-21(8-1)33-23-16-31-14-13-17(23)18-11-12-25-28-26(18)29(33)34(22)30(28)27-19(6-5-10-24(27)35-25)20-7-3-4-15-32(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;1-2-9-21-20(8-1)33-22-15-31-30-14-18(22)16-11-12-24-27-25(16)28(33)34(21)29(27)26-17(6-5-10-23(26)35-24)19-7-3-4-13-32(19)29/h1-18H;3*1-16H;2*1-15H/q6*+2
InChIKeyRPCMLJVDXFUMSB-UHFFFAOYSA-N
XLogP30.34
TPSA232.26 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002742.95
LogP ≤ 530.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 with MolForge

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What is the IUPAC name of 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 161482929) is 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cccnc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccncc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cnccc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cnncc5[n+]5c6ccccc6n1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nc6ccccc6cc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccnc5n5c6ccccc6[n+]1c5c34)O2.
What is the InChIKey of 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 RPCMLJVDXFUMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N4O.3C30H16N4O.2C29H15N5O/c1-2-10-22-19(8-1)18-26-32(35-22)21-15-16-28-31-29(21)33-37(26)24-12-3-4-13-25(24)38(33)34(31)30-20(9-7-14-27(30)39-28)23-11-5-6-17-36(23)34;1-2-11-22-21(10-1)33-28-18(8-6-15-31-28)17-13-14-24-27-25(17)29(33)34(22)30(27)26-19(7-5-12-23(26)35-24)20-9-3-4-16-32(20)30;1-2-9-22-21(8-1)33-23-16-31-14-13-17(23)18-11-12-25-28-26(18)29(33)34(22)30(28)27-19(6-5-10-24(27)35-25)20-7-3-4-15-32(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;1-2-9-21-20(8-1)33-22-15-31-30-14-18(22)16-11-12-24-27-25(16)28(33)34(21)29(27)26-17(6-5-10-23(26)35-24)19-7-3-4-13-32(19)29/h1-18H;3*1-16H;2*1-15H/q6*+2.
What are the key properties of 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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?
23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 2742.95 g/mol, XLogP of 30.34, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 23-oxa-12,14-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;23-oxa-12,15-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;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;27-oxa-12,21-diaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;23-oxa-5,15,16-triaza-12,34-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(12),6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;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 161482929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).