About 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (PubChem CID 157150111) has the molecular formula C262H168N30
and a molecular weight of 3736.44 g/mol. Its IUPAC name is 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.
Frequently Asked Questions
What is the IUPAC name of 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The IUPAC name of 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (CID 157150111) is 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.
What is the SMILES notation for 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The canonical SMILES for 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is c1ccc(-c2cc(C3c4ccccc4-c4cc5c(cc43)c3ccc4ccccc4c3n5-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccncc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7cnccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The InChIKey is ALDUNJCICWHGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H29N5.C45H29N3.2C44H28N6.C39H25N5/c1-4-15-30(16-5-1)43-46-44(31-17-6-2-7-18-31)48-45(47-43)32-19-14-22-34(27-32)50-40-26-13-11-24-36(40)38-28-37-35-23-10-12-25-39(35)49(41(37)29-42(38)50)33-20-8-3-9-21-33;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)50-40-23-13-11-21-36(40)38-29-28-37-35-20-10-12-22-39(35)49(41(37)42(38)50)33-18-8-3-9-19-33;1-4-15-30(16-5-1)40-28-41(47-45(46-40)31-17-6-2-7-18-31)43-35-23-13-12-22-34(35)37-27-42-38(26-39(37)43)36-25-24-29-14-10-11-21-33(29)44(36)48(42)32-19-8-3-9-20-32;1-4-13-29(14-5-1)42-46-43(30-15-6-2-7-16-30)48-44(47-42)31-17-12-20-33(25-31)50-38-22-11-10-21-34(38)35-26-36-37-28-45-24-23-39(37)49(41(36)27-40(35)50)32-18-8-3-9-19-32;1-4-12-29(13-5-1)42-46-43(30-14-6-2-7-15-30)48-44(47-42)31-20-22-33(23-21-31)50-39-26-27-45-28-37(39)36-25-24-35-34-18-10-11-19-38(34)49(40(35)41(36)50)32-16-8-3-9-17-32;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h2*1-29H;1-28,43H;2*1-28H;1-25H.
What are the key properties of 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene has a molecular weight of 3736.44 g/mol, XLogP of 63.68, 28 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-3,7,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is sourced from PubChem (CID 157150111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).