About 9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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
9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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 (PubChem CID 158982912) has the molecular formula C422H280F12N32O4S4
and a molecular weight of 6219.35 g/mol. Its IUPAC name is 9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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.
Frequently Asked Questions
What is the IUPAC name of 9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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?
The IUPAC name of 9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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 (CID 158982912) is 9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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.
What is the SMILES notation for 9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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?
The canonical SMILES for 9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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 is CC(C)(C)c1cccc2c3cc4c(cc3c3ccccc3c12)C(C)(C)c1cc2c(cc1-4)Sc1cc3ccccc3cc1N2c1nc(-c2cccc3ccccc23)nc(-c2cccc3ccccc23)n1.CC1(C)c2cc3c(cc2-c2cc4c5ccccc5c5ccccc5c4cc21)Sc1ccccc1N3c1nc(-c2cccc3ccccc23)nc(-c2cccc3ccccc23)n1.CC1(C)c2ccccc2N(c2ccccc2)c2cc(-n3c4cc5c(cc4c4cc6c7ccccc7c7ccccc7c6cc43)Oc3cc4ccccc4cc3N5c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc21.CC1(C)c2ccccc2N(c2ccccc2)c2cc(-n3c4cc5c(cc4c4cc6c7ccccc7c7ccccc7c6cc43)Oc3ccccc3N5c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc21.Cc1nc(N2c3cc4ccccc4cc3C(C)(C)c3cc4c(cc32)oc2cc3c5ccccc5c5ccccc5c3cc24)nc(C(F)(F)F)n1.Cc1nc(N2c3cc4ccccc4cc3C(C)(C)c3cc4c(cc32)sc2cc3c5ccccc5c5ccccc5c3cc24)nc(C(F)(F)F)n1.Cc1nc(N2c3ccccc3C(C)(C)c3cc4c(cc32)oc2cc3c5ccccc5c5ccccc5c3cc24)nc(C(F)(F)F)n1.Cc1nc(N2c3ccccc3C(C)(C)c3cc4c(cc32)sc2cc3c5ccccc5c5ccccc5c3cc24)nc(C(F)(F)F)n1.
What is the InChIKey of 9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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?
The InChIKey is JPFLSYUJTBGTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N4O.C69H46N4O.C64H46N4S.C56H36N4S.C42H27F3N4O.C42H27F3N4S.C38H25F3N4O.C38H25F3N4S/c1-73(2)61-31-14-17-34-65(61)74(47-21-4-3-5-22-47)68-40-50(35-36-62(68)73)76-66-42-58-54-28-11-9-26-52(54)51-25-8-10-27-53(51)57(58)41-59(66)60-43-72-70(44-67(60)76)77(69-37-45-19-6-7-20-46(45)38-71(69)78-72)49-24-18-23-48(39-49)75-63-32-15-12-29-55(63)56-30-13-16-33-64(56)75;1-69(2)57-29-12-15-32-61(57)70(43-19-4-3-5-20-43)65-38-46(35-36-58(65)69)73-63-40-54-50-26-9-7-24-48(50)47-23-6-8-25-49(47)53(54)39-55(63)56-41-68-66(42-64(56)73)72(62-33-16-17-34-67(62)74-68)45-22-18-21-44(37-45)71-59-30-13-10-27-51(59)52-28-11-14-31-60(52)71;1-63(2,3)52-30-16-27-45-48-33-50-51-35-58-56(36-54(51)64(4,5)53(50)34-49(48)43-25-12-13-26-44(43)59(45)52)68(55-31-39-19-6-7-20-40(39)32-57(55)69-58)62-66-60(46-28-14-21-37-17-8-10-23-41(37)46)65-61(67-62)47-29-15-22-38-18-9-11-24-42(38)47;1-56(2)47-30-44-40-24-10-8-22-38(40)37-21-7-9-23-39(37)43(44)29-45(47)46-31-52-50(32-48(46)56)60(49-27-11-12-28-51(49)61-52)55-58-53(41-25-13-17-33-15-3-5-19-35(33)41)57-54(59-55)42-26-14-18-34-16-4-6-20-36(34)42;2*1-22-46-39(42(43,44)45)48-40(47-22)49-35-17-24-11-5-4-10-23(24)16-33(35)41(2,3)34-19-32-31-18-29-27-14-8-6-12-25(27)26-13-7-9-15-28(26)30(29)20-37(31)50-38(32)21-36(34)49;2*1-20-42-35(38(39,40)41)44-36(43-20)45-31-15-9-8-14-29(31)37(2,3)30-17-28-27-16-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26(25)18-33(27)46-34(28)19-32(30)45/h3-44H,1-2H3;3-42H,1-2H3;6-36H,1-5H3;3-32H,1-2H3;2*4-21H,1-3H3;2*4-19H,1-3H3.
What are the key properties of 9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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?
9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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 has a molecular weight of 6219.35 g/mol, XLogP of 117.99, 18 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-24-(4,6-dinaphthalen-1-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(10),6,8,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35-oxa-20,24-diazanonacyclo[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-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22-oxa-29,33-diazaoctacyclo[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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-oxa-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;35,35-dimethyl-24-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-20-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;22,22-dimethyl-29-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-33-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;29-(4,6-dinaphthalen-1-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 is sourced from PubChem (CID 158982912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).