About 21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole
21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole (PubChem CID 157203599) has the molecular formula C332H219N35O3S
and a molecular weight of 4778.71 g/mol. Its IUPAC name is 21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole.
Frequently Asked Questions
What is the IUPAC name of 21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole?
The IUPAC name of 21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole (CID 157203599) is 21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole.
What is the SMILES notation for 21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole?
The canonical SMILES for 21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole is CC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)Sc4ccccc4N6c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5c6ccccc6n(-c6ccccc6)c5cc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccnc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole?
The InChIKey is ARBXTTKENTXJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N6.C52H34N4.C45H29N5S.C42H31N5.C38H24N6.3C34H21N3O/c1-53(2)42-28-16-18-30-46(42)58(49-32-39(35-19-7-3-8-20-35)31-44(54-49)36-21-9-4-10-22-36)48-33-41-40-27-15-17-29-45(40)59(47(41)34-43(48)53)52-56-50(37-23-11-5-12-24-37)55-51(57-52)38-25-13-6-14-26-38;1-6-18-35(19-7-1)49-53-50(36-20-8-2-9-21-36)55-51(54-49)37-30-31-41-43-34-48-44(42-28-16-17-29-47(42)56(48)40-26-14-5-15-27-40)33-46(43)52(45(41)32-37,38-22-10-3-11-23-38)39-24-12-4-13-25-39;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)49-37-21-11-10-20-35(37)36-28-40-42(29-39(36)49)51-41-23-13-12-22-38(41)50(40)33-18-8-3-9-19-33;1-42(2)33-23-13-15-25-36(33)46(30-20-10-5-11-21-30)38-26-32-31-22-12-14-24-35(31)47(37(32)27-34(38)42)41-44-39(28-16-6-3-7-17-28)43-40(45-41)29-18-8-4-9-19-29;1-4-13-25(14-5-1)36-40-37(26-15-6-2-7-16-26)42-38(41-36)44-32-21-12-24-39-34(32)29-22-23-31-33(35(29)44)28-19-10-11-20-30(28)43(31)27-17-8-3-9-18-27;1-3-11-22(12-4-1)27-21-28(23-13-5-2-6-14-23)36-34(35-27)37-29-17-9-7-16-26(29)32-30(37)20-19-25-24-15-8-10-18-31(24)38-33(25)32;1-3-11-22(12-4-1)28-20-29(23-13-5-2-6-14-23)36-34(35-28)37-30-17-9-7-15-24(30)26-19-27-25-16-8-10-18-32(25)38-33(27)21-31(26)37;1-3-11-22(12-4-1)27-21-28(23-13-5-2-6-14-23)36-34(35-27)37-29-17-9-7-15-24(29)25-19-20-31-32(33(25)37)26-16-8-10-18-30(26)38-31/h3-34H,1-2H3;1-34H;1-29H;3-27H,1-2H3;1-24H;3*1-21H.
What are the key properties of 21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole?
21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole has a molecular weight of 4778.71 g/mol, XLogP of 83.01, 34 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 21-(4,6-diphenyl-2-pyridinyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole is sourced from PubChem (CID 157203599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).