About 5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 159739817) has the molecular formula C290H254B8N10
and a molecular weight of 3965.79 g/mol. Its IUPAC name is 5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
Frequently Asked Questions
What is the IUPAC name of 5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 159739817) is 5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is Cc1cc2c3c(c1)B(c1c(C)c(C)c(C)c(C)c1C)c1cc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(C)C)cc4)ccc1N3c1ccc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc3)cc1B2c1c(C)c(C)c(C)c(C)c1C.Cc1cc2c3c(c1)B(c1c(C)c(C)c(C)c(C)c1C)c1cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc1N3c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1B2c1c(C)c(C)c(C)c(C)c1C.Cc1cc2c3c(c1)B(c1c(C)c(C)c(C)c(C)c1C)c1cc(-n4c5ccccc5c5ccccc54)ccc1N3c1ccc(-n3c4ccccc4c4ccccc43)cc1B2c1c(C)c(C)c(C)c(C)c1C.Cc1cc2c3c(c1)B(c1c(C)c(C)c(C)c(C)c1C)c1ccc(-n4c5ccccc5c5ccccc54)cc1N3c1cc(-n3c4ccccc4c4ccccc43)ccc1B2c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is NCHREDTWORRDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H75B2N.C77H65B2N3.2C65H57B2N3/c1-46-40-75-81-76(41-46)85(80-55(10)51(6)48(3)52(7)56(80)11)74-45-64(60-30-26-58(27-31-60)62-33-37-72-68(43-62)66-21-17-19-23-70(66)83(72,14)15)35-39-78(74)86(81)77-38-34-63(44-73(77)84(75)79-53(8)49(4)47(2)50(5)54(79)9)59-28-24-57(25-29-59)61-32-36-71-67(42-61)65-20-16-18-22-69(65)82(71,12)13;1-44-40-67-77-68(41-44)79(76-53(10)49(6)46(3)50(7)54(76)11)66-43-58(56-30-36-60(37-31-56)81-71-26-18-14-22-63(71)64-23-15-19-27-72(64)81)33-39-74(66)82(77)73-38-32-57(42-65(73)78(67)75-51(8)47(4)45(2)48(5)52(75)9)55-28-34-59(35-29-55)80-69-24-16-12-20-61(69)62-21-13-17-25-70(62)80;1-36-32-55-65-56(33-36)67(64-45(10)41(6)38(3)42(7)46(64)11)54-35-48(69-59-26-18-14-22-51(59)52-23-15-19-27-60(52)69)29-31-62(54)70(65)61-30-28-47(68-57-24-16-12-20-49(57)50-21-13-17-25-58(50)68)34-53(61)66(55)63-43(8)39(4)37(2)40(5)44(63)9;1-36-32-55-65-56(33-36)67(64-45(10)41(6)38(3)42(7)46(64)11)54-31-29-48(69-59-26-18-14-22-51(59)52-23-15-19-27-60(52)69)35-62(54)70(65)61-34-47(68-57-24-16-12-20-49(57)50-21-13-17-25-58(50)68)28-30-53(61)66(55)63-43(8)39(4)37(2)40(5)44(63)9/h16-45H,1-15H3;12-43H,1-11H3;2*12-35H,1-11H3.
What are the key properties of 5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 3965.79 g/mol, XLogP of 58.03, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-bis(4-carbazol-9-ylphenyl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,18-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(carbazol-9-yl)-11-methyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 159739817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).