8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene

C224H139N25O5+10 — CID 161160652

IUPAC8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
SMILESCc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4c6ccccc6c6ccccc6c4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4ccccc4n13)Oc1ccc3c4ccccc4n4c(-c6c(C)cccc6C)c[n+]6c4c3c1C526.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6cc4n13)Oc1ccc3c4ccccc4n4c3c1C52[n+]1ccccc1-4.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6nc4n13)Oc1ccc3c4ccccc4n4c3c1C52[n+]1ccccc1-4.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ncccc6cc4n13)Oc1ccc3c4ccccc4n4c3c1C52[n+]1ccccc1-4
InChIInChI=1S/C47H28N4O.C47H32N4O.C44H27N5O.2C43H26N6O/c1-25-10-9-11-26(2)38(25)35-24-50-46-41-33(39-30-15-5-3-12-27(30)28-13-4-6-16-32(28)44(39)51(35)46)19-21-37-43(41)47(50)42-36(52-37)20-18-31-29-14-7-8-17-34(29)48-22-23-49(47)45(48)40(31)42;1-25-11-9-12-26(2)39(25)35-23-48-45-41-31(29-15-5-7-17-33(29)50(35)45)19-21-37-43(41)47(48)44-38(52-37)22-20-32-30-16-6-8-18-34(30)51-36(24-49(47)46(51)42(32)44)40-27(3)13-10-14-28(40)4;1-24-10-9-11-25(2)37(24)33-23-47-43-38-29(41-32(48(33)43)22-26-12-3-5-14-30(26)45-41)18-20-34-39(38)44(47)40-35(50-34)19-17-28-27-13-4-6-15-31(27)49(42(28)40)36-16-7-8-21-46(36)44;1-23-10-9-11-24(2)35(23)31-22-47-42-36-27(39-41(49(31)42)45-29-14-5-4-13-28(29)44-39)18-20-32-37(36)43(47)38-33(50-32)19-17-26-25-12-3-6-15-30(25)48(40(26)38)34-16-7-8-21-46(34)43;1-23-9-7-10-24(2)35(23)31-22-47-42-36-28(39-30(48(31)42)21-25-11-8-19-44-41(25)45-39)16-18-32-37(36)43(47)38-33(50-32)17-15-27-26-12-3-4-13-29(26)49(40(27)38)34-14-5-6-20-46(34)43/h3-24H,1-2H3;5-24H,1-4H3;3-23H,1-2H3;2*3-22H,1-2H3/q5*+2
InChIKeyUTMBUNWFEATDJC-UHFFFAOYSA-N
MW3260.75 g/mol
LogP45.11
Rot. Bonds6

About 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene

8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene (PubChem CID 161160652) has the molecular formula C224H139N25O5+10 and a molecular weight of 3260.75 g/mol. Its IUPAC name is 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene.

Molecular Properties

Compound Name8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
PubChem CID161160652
Molecular FormulaC224H139N25O5+10
Molecular Weight3260.75 g/mol
Exact Mass3258.13
IUPAC Name8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
SMILESCc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4c6ccccc6c6ccccc6c4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4ccccc4n13)Oc1ccc3c4ccccc4n4c(-c6c(C)cccc6C)c[n+]6c4c3c1C526.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6cc4n13)Oc1ccc3c4ccccc4n4c3c1C52[n+]1ccccc1-4.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6nc4n13)Oc1ccc3c4ccccc4n4c3c1C52[n+]1ccccc1-4.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ncccc6cc4n13)Oc1ccc3c4ccccc4n4c3c1C52[n+]1ccccc1-4
InChIInChI=1S/C47H28N4O.C47H32N4O.C44H27N5O.2C43H26N6O/c1-25-10-9-11-26(2)38(25)35-24-50-46-41-33(39-30-15-5-3-12-27(30)28-13-4-6-16-32(28)44(39)51(35)46)19-21-37-43(41)47(50)42-36(52-37)20-18-31-29-14-7-8-17-34(29)48-22-23-49(47)45(48)40(31)42;1-25-11-9-12-26(2)39(25)35-23-48-45-41-31(29-15-5-7-17-33(29)50(35)45)19-21-37-43(41)47(48)44-38(52-37)22-20-32-30-16-6-8-18-34(30)51-36(24-49(47)46(51)42(32)44)40-27(3)13-10-14-28(40)4;1-24-10-9-11-25(2)37(24)33-23-47-43-38-29(41-32(48(33)43)22-26-12-3-5-14-30(26)45-41)18-20-34-39(38)44(47)40-35(50-34)19-17-28-27-13-4-6-15-31(27)49(42(28)40)36-16-7-8-21-46(36)44;1-23-10-9-11-24(2)35(23)31-22-47-42-36-27(39-41(49(31)42)45-29-14-5-4-13-28(29)44-39)18-20-32-37(36)43(47)38-33(50-32)19-17-26-25-12-3-6-15-30(25)48(40(26)38)34-16-7-8-21-46(34)43;1-23-9-7-10-24(2)35(23)31-22-47-42-36-28(39-30(48(31)42)21-25-11-8-19-44-41(25)45-39)16-18-32-37(36)43(47)38-33(50-32)17-15-27-26-12-3-4-13-29(26)49(40(27)38)34-14-5-6-20-46(34)43/h3-24H,1-2H3;5-24H,1-4H3;3-23H,1-2H3;2*3-22H,1-2H3/q5*+2
InChIKeyUTMBUNWFEATDJC-UHFFFAOYSA-N
XLogP45.11
TPSA195.06 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds6
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003260.75
LogP ≤ 545.11
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 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene with MolForge

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Related Compounds

23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene
CID 158600939
7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-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;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene
CID 158604294
7-(2,6-dimethylphenyl)-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
CID 158604295
19-oxa-8,30-diaza-2,36-diazoniaundecacyclo[21.13.2.215,18.01,17.02,7.08,16.09,14.020,37.024,29.030,38.031,36]tetraconta-2,4,6,9,11,13,15,17,20(37),21,23(38),24,26,28,31,33,35,39-octadecaene
CID 161322502
31-oxa-4,42-diaza-6,48-diazoniapentadecacyclo[33.13.2.211,15.01,6.02,30.03,27.04,12.05,10.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5(10),6,8,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47,51-tetracosaene
CID 159154074
7-(2,6-dimethylphenyl)-19-oxa-8,11-diaza-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(14),10,12,16,20,22,24(31),25,27,29-tetradecaene
CID 158216220
23-oxa-4,14,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
CID 158282103
3,5-dimethyl-4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 157217359
11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
CID 157270096
9-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 157468309
25-oxa-14,44-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene
CID 161174731
4-methyl-3-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 159018295

Frequently Asked Questions

What is the IUPAC name of 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?
The IUPAC name of 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene (CID 161160652) is 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene.
What is the SMILES notation for 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?
The canonical SMILES for 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene is Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4c6ccccc6c6ccccc6c4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4ccccc4n13)Oc1ccc3c4ccccc4n4c(-c6c(C)cccc6C)c[n+]6c4c3c1C526.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6cc4n13)Oc1ccc3c4ccccc4n4c3c1C52[n+]1ccccc1-4.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6nc4n13)Oc1ccc3c4ccccc4n4c3c1C52[n+]1ccccc1-4.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ncccc6cc4n13)Oc1ccc3c4ccccc4n4c3c1C52[n+]1ccccc1-4.
What is the InChIKey of 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?
The InChIKey is UTMBUNWFEATDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O.C47H32N4O.C44H27N5O.2C43H26N6O/c1-25-10-9-11-26(2)38(25)35-24-50-46-41-33(39-30-15-5-3-12-27(30)28-13-4-6-16-32(28)44(39)51(35)46)19-21-37-43(41)47(50)42-36(52-37)20-18-31-29-14-7-8-17-34(29)48-22-23-49(47)45(48)40(31)42;1-25-11-9-12-26(2)39(25)35-23-48-45-41-31(29-15-5-7-17-33(29)50(35)45)19-21-37-43(41)47(48)44-38(52-37)22-20-32-30-16-6-8-18-34(30)51-36(24-49(47)46(51)42(32)44)40-27(3)13-10-14-28(40)4;1-24-10-9-11-25(2)37(24)33-23-47-43-38-29(41-32(48(33)43)22-26-12-3-5-14-30(26)45-41)18-20-34-39(38)44(47)40-35(50-34)19-17-28-27-13-4-6-15-31(27)49(42(28)40)36-16-7-8-21-46(36)44;1-23-10-9-11-24(2)35(23)31-22-47-42-36-27(39-41(49(31)42)45-29-14-5-4-13-28(29)44-39)18-20-32-37(36)43(47)38-33(50-32)19-17-26-25-12-3-6-15-30(25)48(40(26)38)34-16-7-8-21-46(34)43;1-23-9-7-10-24(2)35(23)31-22-47-42-36-28(39-30(48(31)42)21-25-11-8-19-44-41(25)45-39)16-18-32-37(36)43(47)38-33(50-32)17-15-27-26-12-3-4-13-29(26)49(40(27)38)34-14-5-6-20-46(34)43/h3-24H,1-2H3;5-24H,1-4H3;3-23H,1-2H3;2*3-22H,1-2H3/q5*+2.
What are the key properties of 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?
8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene has a molecular weight of 3260.75 g/mol, XLogP of 45.11, 6 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene is sourced from PubChem (CID 161160652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).