About 12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene
12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene (PubChem CID 157439393) has the molecular formula C266H140N22O7S3+12
and a molecular weight of 3852.39 g/mol. Its IUPAC name is 12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene.
Frequently Asked Questions
What is the IUPAC name of 12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene?
The IUPAC name of 12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene (CID 157439393) is 12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene.
What is the SMILES notation for 12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene?
The canonical SMILES for 12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene is c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c3c3c(ccc[n+]31)c1nc3c5ccccc5c5ccccc5n3c41)O2.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c2c2c(ccc[n+]21)c1nc2c5ccccc5c5ccccc5n2c31)O4.c1ccc(-c2sc(-c3ccccc3)c3c4ccc[n+]5c4c4c6c(ccc4c23)Oc2ccc3c4ccccc4n4c3c2C65[n+]2ccccc2-4)cc1.c1ccc(-c2sc(-c3ccccc3)c3c4ccc[n+]5c4c4c6c(ccc4c23)Oc2ccc3c4oc7ccccc7c4c4ccc[n+]7c4c3c2C657)cc1.c1ccc(-c2sc(-c3ccccc3)c3c4ccc[n+]5c4c4c6c(ccc4c23)Oc2cccc3c2C65[n+]2ccccc2-3)cc1.c1ccc2c(c1)c1ccccc1n1c2nc2c3ccc[n+]4c3c3c5c(ccc3c21)Oc1ccc2c3c1C54[n+]1cccc(c4nc5c6ccccc6c6ccccc6n5c24)c31.
What is the InChIKey of 12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene?
The InChIKey is QDLUJNMVIOJZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H26N6O.C47H24N2O2S.C45H25N3OS.C44H23N5O.C39H22N2OS.C38H20N4O/c1-3-15-31-27(11-1)29-13-5-7-19-37(29)58-49-33-21-23-39-43-41(33)47-35(45(49)54-51(31)58)17-9-25-56(47)53(43)44-40(60-39)24-22-34-42(44)48-36(18-10-26-57(48)53)46-50(34)59-38-20-8-6-14-30(38)28-12-2-4-16-32(28)52(59)55-46;1-3-11-25(12-4-1)45-36-28-19-21-33-40-38(28)43-30(37(36)46(52-45)26-13-5-2-6-14-26)17-10-24-49(43)47(40)41-34(50-33)22-20-31-39(41)42-29(16-9-23-48(42)47)35-27-15-7-8-18-32(27)51-44(31)35;1-3-12-26(13-4-1)43-36-30-21-23-33-39-38(30)41-31(37(36)44(50-43)27-14-5-2-6-15-27)17-11-25-47(41)45(39)40-34(49-33)22-20-29-28-16-7-8-18-32(28)48(42(29)40)35-19-9-10-24-46(35)45;1-2-13-28-24(10-1)25-11-3-6-16-32(25)49-42-29-19-21-33-37-36(29)40-30(39(42)45-43(28)49)14-9-23-47(40)44(37)38-34(50-33)20-18-27-26-12-4-5-15-31(26)48(41(27)38)35-17-7-8-22-46(35)44;1-3-11-23(12-4-1)37-31-26-19-20-30-35-33(26)36-27(32(31)38(43-37)24-13-5-2-6-14-24)16-10-22-41(36)39(35)34-25(15-9-18-29(34)42-30)28-17-7-8-21-40(28)39;1-2-11-23-21(9-1)22-10-3-4-15-28(22)42-36-25-17-18-30-33-31(25)35-26(34(36)39-37(23)42)13-8-20-41(35)38(33)32-24(12-7-16-29(32)43-30)27-14-5-6-19-40(27)38/h1-26H;1-24H;1-25H;1-23H;1-22H;1-20H/q6*+2.
What are the key properties of 12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene?
12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene has a molecular weight of 3852.39 g/mol, XLogP of 57.70, 6 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene is sourced from PubChem (CID 157439393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).