About 9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione
9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione (PubChem CID 157250171) has the molecular formula C244H80F16N40O14S2
and a molecular weight of 4163.69 g/mol. Its IUPAC name is 9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione.
Frequently Asked Questions
What is the IUPAC name of 9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione?
The IUPAC name of 9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione (CID 157250171) is 9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione.
What is the SMILES notation for 9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione?
The canonical SMILES for 9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione is O=c1c2ccc3c4ccc5c(=O)n6c(nc7cncc(F)c76)c6ccc(c7ccc(c2c37)c2nc3cncc(F)c3n12)c4c56.O=c1c2ccc3c4ccc5c(=O)n6c7cc(F)cnc7nc6c6ccc(c7ccc(c2c37)c2nc3ncc(F)cc3n12)c4c56.O=c1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c2nc3c(F)c(F)sc3n12)c46)c(=O)n1c5nc2c(F)c(F)sc21.O=c1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c2nc3c(F)cncc3n12)c46)c(=O)n1c2cncc(F)c2nc51.O=c1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c2nc3ncc(F)cc3n12)c46)c(=O)n1c2cc(F)cnc2nc51.[C-]#[N+]c1cc2c3c(ccc4c5c(C#N)cc6c(=O)n7c8cc(F)ccc8nc7c7ccc(c1c43)c5c67)c(=O)n1c3cc(F)ccc3nc21.[C-]#[N+]c1cc2c3c(ccc4c5c(C#N)cc6c7c(ccc(c1c43)c57)c(=O)n1c3ccc(F)cc3nc61)c(=O)n1c3cc(F)ccc3nc21.
What is the InChIKey of 9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione?
The InChIKey is AWGAEDQEEZQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H12F2N6O2.4C34H12F2N6O2.C32H8F4N4O2S2/c1-42-26-13-23-31-21(38(48)46-28-12-17(40)2-8-24(28)43-36(23)46)6-4-18-29-15(14-41)10-22-30-20(7-5-19(33(29)30)32(26)34(18)31)37(47)45-27-9-3-16(39)11-25(27)44-35(22)45;1-42-26-13-22-31-21(37(47)46-28-12-17(40)3-9-25(28)44-36(22)46)7-5-18-29-15(14-41)10-23-30-20(6-4-19(33(29)30)32(26)34(18)31)35-43-24-8-2-16(39)11-27(24)45(35)38(23)48;35-13-9-23-29(37-11-13)39-31-19-5-1-15-17-3-7-22-28-20(32-40-30-24(42(32)34(22)44)10-14(36)12-38-30)6-2-16(26(17)28)18-4-8-21(27(19)25(15)18)33(43)41(23)31;35-13-9-23-29(37-11-13)39-31-19-5-1-15-16-2-6-20-28-22(34(44)42-24-10-14(36)12-38-30(24)40-32(20)42)8-4-18(26(16)28)17-3-7-21(27(19)25(15)17)33(43)41(23)31;35-21-9-37-11-23-29(21)39-31-17-5-1-13-15-3-7-20-28-18(32-40-30-22(36)10-38-12-24(30)42(32)34(20)44)6-2-14(26(15)28)16-4-8-19(27(17)25(13)16)33(43)41(23)31;35-21-9-37-11-23-29(21)41-31(39-23)17-5-1-13-14-2-6-18-28-20(34(44)42-30-22(36)10-38-12-24(30)40-32(18)42)8-4-16(26(14)28)15-3-7-19(33(41)43)27(17)25(13)15;33-21-23-31(43-25(21)35)39-27(37-23)13-5-1-9-11-3-7-16-20-14(28-38-24-22(34)26(36)44-32(24)40(28)30(16)42)6-2-10(18(11)20)12-4-8-15(29(39)41)19(13)17(9)12/h2*2-13H;4*1-12H;1-8H.
What are the key properties of 9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione?
9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione has a molecular weight of 4163.69 g/mol, XLogP of 49.04, 0 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 9,27-difluoro-7,11,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;11,28-difluoro-7,9,14,25,30,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione;11,29-difluoro-7,9,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione;12,27-difluoro-7,10,14,25,29,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione;11,28-difluoro-36-isocyano-15,24-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),26(31),27,29,32,34,39-octadecaene-18-carbonitrile;11,28-difluoro-40-isocyano-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,17,20,22,24,26(31),27,29,34(38),35-octadecaene-21-carbonitrile;9,10,26,27-tetrafluoro-11,28-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8(12),9,15,17,19(35),20,22(36),23,25(29),26,32,37-hexadecaene-14,31-dione is sourced from PubChem (CID 157250171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).