About 9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene
9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene (PubChem CID 159455826) has the molecular formula C348H172N24O4
and a molecular weight of 4753.37 g/mol. Its IUPAC name is 9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene.
Frequently Asked Questions
What is the IUPAC name of 9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene?
The IUPAC name of 9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene (CID 159455826) is 9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene.
What is the SMILES notation for 9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene?
The canonical SMILES for 9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene is c1ccc2c(c1)c1c3c(cc4c5cccc6c7ccccc7n(c65)c41)c1cc4c(cc1n23)c1cc2c3cccc5c6ccccc6n(c53)c2c2c3ccccc3n4c12.c1ccc2c(c1)c1cc3c4cccc5c6ccccc6n(c54)c3c3c4cc5c(cc4n2c13)c1c2c(cc3c4cccc6c7ccccc7n(c64)c31)c1ccccc1n52.c1ccc2c(c1)c1cccc3c4c5c6cc7c(cc6n6c8ccccc8c(cc4n2c13)c56)c1c2c3cccc4c5ccccc5n(c2cc2c5ccccc5n7c21)c43.c1ccc2c(c1)c1cccc3c4c5c6ccccc6n6c7cc8c9cc%10c(c%11cccc%12c%13ccccc%13n%10c%12%11)c%10c%11ccccc%11n(c8cc7c(cc4n2c13)c56)c9%10.c1ccc2c(c1)oc1c(-n3c4ccccc4c4cc5c(cc43)c3cccc4c6cc7c(cc6n5c34)c3cccc4c5cc6c(cc5n7c43)c3ccccc3n6-c3cccc4c3oc3ccccc34)cccc12.c1ccc2c(c1)oc1c(-n3c4ccccc4c4cc5c6cccc7c8cc9c(cc8n(c5cc43)c76)c3cccc4c5cc6c7ccccc7n(-c7cccc8c7oc7ccccc78)c6cc5n9c34)cccc12.
What is the InChIKey of 9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene?
The InChIKey is LTYOCIQMRDKWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H34N4O2.4C54H26N4/c1-5-23-51-35(13-1)45-29-57-47(31-55(45)67(51)53-25-11-21-43-37-15-3-7-27-61(37)71-65(43)53)39-17-9-19-41-49-34-60-50(33-59(49)69(57)63(39)41)42-20-10-18-40-48-32-56-46(30-58(48)70(60)64(40)42)36-14-2-6-24-52(36)68(56)54-26-12-22-44-38-16-4-8-28-62(38)72-66(44)54;1-5-23-51-35(13-1)45-29-47-39-17-9-19-41-49-32-56-50(31-55(49)69(63(39)41)59(47)33-57(45)67(51)53-25-11-21-43-37-15-3-7-27-61(37)71-65(43)53)42-20-10-18-40-48-30-46-36-14-2-6-24-52(36)68(58(46)34-60(48)70(56)64(40)42)54-26-12-22-44-38-16-4-8-28-62(38)72-66(44)54;1-7-21-43-27(11-1)31-15-9-17-33-37-23-35-29-13-3-5-19-41(29)55-45-26-40-46(25-39(45)47(51(35)55)53(37)57(43)49(31)33)56-42-20-6-4-14-30(42)36-24-38-34-18-10-16-32-28-12-2-8-22-44(28)58(50(32)34)54(38)48(40)52(36)56;1-5-19-41-27(11-1)29-15-9-17-31-37-23-39-35-25-46-36(26-45(35)55-43-21-7-3-13-33(43)47(51(39)55)53(37)57(41)49(29)31)40-24-38-32-18-10-16-30-28-12-2-6-20-42(28)58(50(30)32)54(38)48-34-14-4-8-22-44(34)56(46)52(40)48;1-5-19-39-27(11-1)29-15-9-17-33-47-45(57(39)51(29)33)25-37-35-23-44-36(24-43(35)55-41-21-7-3-13-31(41)49(47)53(37)55)38-26-46-48(50-32-14-4-8-22-42(32)56(44)54(38)50)34-18-10-16-30-28-12-2-6-20-40(28)58(46)52(30)34;1-5-19-39-27(11-1)31-15-9-17-33-47-45(57(39)51(31)33)23-35-29-13-3-7-21-41(29)55-43-26-38-44(25-37(43)49(47)53(35)55)56-42-22-8-4-14-30(42)36-24-46-48(50(38)54(36)56)34-18-10-16-32-28-12-2-6-20-40(28)58(46)52(32)34/h2*1-34H;4*1-26H.
What are the key properties of 9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene?
9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene has a molecular weight of 4753.37 g/mol, XLogP of 92.04, 4 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene is sourced from PubChem (CID 159455826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).