About 24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene (PubChem CID 161078576) has the molecular formula C494H334F4N30O9S2Si2
and a molecular weight of 7030.61 g/mol. Its IUPAC name is 24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene.
Frequently Asked Questions
What is the IUPAC name of 24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?
The IUPAC name of 24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene (CID 161078576) is 24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene.
What is the SMILES notation for 24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?
The canonical SMILES for 24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene is COc1ccc2c(c1)c1ccccc1c1cc3c(cc21)C(C)(C)c1cc2c(cc1-3)Oc1cc3ccccc3cc1N2c1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1ccc2c(c1)c1ccccc1c1cc3c(cc21)C(C)(C)c1cc2c(cc1-3)Oc1ccccc1N2c1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1ccc2c(c1)c1ccccc1c1cc3c(cc21)C(C)(C)c1cc2c(cc1-3)c(=O)c1cc3ccccc3cc1n2-c1nc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)n1.COc1ccc2c(c1)c1ccccc1c1cc3c4cc5c(cc4n(-c4ccccc4)c3cc21)N(c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1)c1cc2ccccc2cc1[Si]5(c1ccccc1)c1ccccc1.COc1ccc2c(c1)c1ccccc1c1cc3c4cc5c(cc4n(-c4ccccc4)c3cc21)N(c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1)c1ccccc1[Si]5(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(N2c3cc4c(cc3Sc3cc5ccccc5cc32)-c2cc3c5ccccc5c5ccccc5c3cc2C4(C)C)nc(-n2c3ccc(C)cc3c3cc(C)ccc32)n1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(N2c3ccccc3Sc3cc4c(cc32)C(C)(C)c2cc3c5ccccc5c5ccccc5c3cc2-4)nc(-n2c3ccc(C)cc3c3cc(C)ccc32)n1.Cc1cccc2c3cc4c(cc3c3ccccc3c12)C(C)(C)c1cc2c(cc1-4)c(=O)c1ccccc1n2-c1nc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?
The InChIKey is UFPKQQBBFRPXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N2OSi.C75H50N2OSi.C68H48N6S.C64H46N6S.C55H35F2N3O2.C53H36N4O2.C51H33F2N3O.C49H34N4O2/c1-82-57-40-42-62-66(46-57)60-35-19-20-36-61(60)67-47-69-70-49-77-75(50-73(70)80(72(69)48-68(62)67)55-29-11-4-12-30-55)81(74-43-53-27-17-18-28-54(53)44-76(74)83(77,58-31-13-5-14-32-58)59-33-15-6-16-34-59)56-39-41-65-71(45-56)79(52-25-9-3-10-26-52)64-38-22-21-37-63(64)78(65)51-23-7-2-8-24-51;1-78-53-40-42-58-62(44-53)56-33-17-18-34-57(56)63-45-65-66-47-73-71(48-70(66)76(69(65)46-64(58)63)51-27-11-4-12-28-51)77(68-37-21-22-38-72(68)79(73,54-29-13-5-14-30-54)55-31-15-6-16-32-55)52-39-41-61-67(43-52)75(50-25-9-3-10-26-50)60-36-20-19-35-59(60)74(61)49-23-7-2-8-24-49;1-37-19-23-57-51(27-37)52-28-38(2)20-24-58(52)72(57)65-69-66(73-59-25-21-39(3)29-53(59)54-30-40(4)22-26-60(54)73)71-67(70-65)74-61-31-41-13-7-8-14-42(41)32-63(61)75-64-35-50-49-33-47-45-17-11-9-15-43(45)44-16-10-12-18-46(44)48(47)34-55(49)68(5,6)56(50)36-62(64)74;1-35-19-23-53-47(27-35)48-28-36(2)20-24-54(48)68(53)61-65-62(69-55-25-21-37(3)29-49(55)50-30-38(4)22-26-56(50)69)67-63(66-61)70-57-17-11-12-18-59(57)71-60-33-46-45-31-43-41-15-9-7-13-39(41)40-14-8-10-16-42(40)44(43)32-51(45)64(5,6)52(46)34-58(60)70;1-55(2)47-27-42-39-21-20-36(62-3)24-40(39)37-10-6-7-11-38(37)41(42)25-43(47)44-26-46-52(28-48(44)55)60(51-23-33-9-5-4-8-32(33)22-45(51)53(46)61)54-58-49(30-12-16-34(56)17-13-30)29-50(59-54)31-14-18-35(57)19-15-31;1-53(2)43-28-40-37-19-18-34(58-3)26-38(37)35-14-6-7-15-36(35)39(40)27-41(43)42-29-52-50(30-44(42)53)57(49-22-31-12-4-5-13-32(31)23-51(49)59-52)33-24-47(45-16-8-10-20-54-45)56-48(25-33)46-17-9-11-21-55-46;1-28-9-8-13-35-37-23-39-40-24-41-47(26-43(40)51(2,3)42(39)25-38(37)33-10-4-5-11-34(33)48(28)35)56(46-14-7-6-12-36(46)49(41)57)50-54-44(29-15-19-31(52)20-16-29)27-45(55-50)30-17-21-32(53)22-18-30;1-49(2)39-26-36-33-19-18-30(54-3)24-34(33)31-12-4-5-13-32(31)35(36)25-37(39)38-27-48-46(28-40(38)49)53(45-16-6-7-17-47(45)55-48)29-22-43(41-14-8-10-20-50-41)52-44(23-29)42-15-9-11-21-51-42/h2-50H,1H3;2-48H,1H3;7-36H,1-6H3;7-34H,1-6H3;4-29H,1-3H3;4-30H,1-3H3;4-27H,1-3H3;4-28H,1-3H3.
What are the key properties of 24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?
24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene has a molecular weight of 7030.61 g/mol, XLogP of 122.77, 35 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-20,20-dimethyl-35-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-33,33-dimethyl-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-13-methoxy-20,20-dimethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,25,27,29,31,33,36-heptadecaen-35-one;29-[4,6-bis(4-fluorophenyl)pyrimidin-2-yl]-11,33,33-trimethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,23,25,27,30-pentadecaen-22-one;24-(9,10-diphenylanthracen-2-yl)-13-methoxy-20,35,35-triphenyl-20,24-diaza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(9,10-diphenylanthracen-2-yl)-7-methoxy-22,22,33-triphenyl-29,33-diaza-22-silaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(2,6-dipyridin-2-yl-4-pyridinyl)-13-methoxy-20,20-dimethyl-35-oxa-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene;29-(2,6-dipyridin-2-yl-4-pyridinyl)-7-methoxy-33,33-dimethyl-22-oxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene is sourced from PubChem (CID 161078576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).