About 23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene
23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene (PubChem CID 158369207) has the molecular formula C236H78F20N46
and a molecular weight of 3937.50 g/mol. Its IUPAC name is 23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene.
Frequently Asked Questions
What is the IUPAC name of 23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene?
The IUPAC name of 23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene (CID 158369207) is 23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene.
What is the SMILES notation for 23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene?
The canonical SMILES for 23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene is FC(F)(F)c1cc2nc3c(nc2cc1C(F)(F)F)-c1ccc2c4c(ccc-3c14)-c1nc3cc(C(F)(F)F)c(C(F)(F)F)cc3nc1-2.Fc1cc2nc3c(nc2cc1F)-c1ccc2c4c(ccc-3c14)-c1nc3cc(F)c(F)cc3nc1-2.Fc1cc2nc3c4cccc5c4c(c4cccc6c7nc8cc(F)c(F)cc8nc7c5c64)c3nc2cc1F.[C-]#[N+]c1cc2nc3c(nc2cc1C)-c1ccc2c4c(ccc-3c14)-c1nc3cc(C#N)c(C)cc3nc1-2.[C-]#[N+]c1cc2nc3c(nc2cc1[N+]#[C-])-c1ccc2c4c(ccc-3c14)-c1nc3cc(C#N)c(C#N)cc3nc1-2.[C-]#[N+]c1cc2nc3c4cccc5c4c(c4cccc6c7nc8cc(C#N)c(C#N)cc8nc7c5c64)c3nc2cc1[N+]#[C-].[C-]#[N+]c1ccc2nc3c(nc2c1)-c1ccc2c4c(ccc-3c14)-c1nc3cc(C#N)ccc3nc1-2.[C-]#[N+]c1ccc2nc3c(nc2c1)-c1ccc2c4c(ccc-3c14)-c1nc3ccc(C#N)cc3nc1-2.
What is the InChIKey of 23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene?
The InChIKey is GUKCNZVZZMUQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H10N8.C30H8F12N4.C30H10F4N4.C30H8N8.C30H14N6.2C28H10N6.C26H8F4N4/c1-37-21-11-25-26(12-22(21)38-2)42-34-30-18-6-3-7-19-27(18)29(17-5-4-8-20(28(17)30)32(34)40-25)33-31(19)39-23-9-15(13-35)16(14-36)10-24(23)41-33;31-27(32,33)13-5-17-18(6-14(13)28(34,35)36)45-25-11-3-4-12-22-10(2-1-9(21(11)22)23(25)43-17)24-26(12)46-20-8-16(30(40,41)42)15(29(37,38)39)7-19(20)44-24;31-15-7-19-21(9-17(15)33)38-30-26-12-4-2-6-14-24(12)25(11-3-1-5-13(23(11)26)27(30)35-19)29-28(14)36-20-8-16(32)18(34)10-22(20)37-29;1-33-19-9-23-24(10-20(19)34-2)38-30-18-6-4-16-25-15(3-5-17(26(18)25)29(30)37-23)27-28(16)36-22-8-14(12-32)13(11-31)7-21(22)35-27;1-13-8-21-23(10-15(13)12-31)35-29-18-6-7-19-26-17(5-4-16(25(18)26)27(29)33-21)28-30(19)36-24-11-20(32-3)14(2)9-22(24)34-28;1-30-14-3-9-20-22(11-14)34-28-18-7-5-15-23-17(6-4-16(24(18)23)26(28)32-20)27-25(15)31-19-8-2-13(12-29)10-21(19)33-27;1-30-14-3-9-20-22(11-14)34-28-18-7-6-17-23-15(4-5-16(24(18)23)26(28)32-20)25-27(17)33-21-10-13(12-29)2-8-19(21)31-25;27-13-5-17-18(6-14(13)28)33-25-11-3-4-12-22-10(2-1-9(21(11)22)23(25)31-17)24-26(12)34-20-8-16(30)15(29)7-19(20)32-24/h3-12H;1-8H;1-10H;3-10H;4-11H,1-2H3;2*2-11H;1-8H.
What are the key properties of 23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene?
23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene has a molecular weight of 3937.50 g/mol, XLogP of 59.62, 0 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 23,24-diisocyano-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5(10),6,8,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene-7,8-dicarbonitrile;20,21-diisocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaene-6,7-dicarbonitrile;21-isocyano-7,20-dimethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;20-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene-6-carbonitrile;21-isocyano-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18(23),19,21,24,26-pentadecaene-6-carbonitrile;7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene;6,7,20,21-tetrafluoro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene is sourced from PubChem (CID 158369207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).