About 4,18-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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 157255025) has the molecular formula C301H264B3F6N21
and a molecular weight of 4321.99 g/mol. Its IUPAC name is 4,18-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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 4,18-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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 4,18-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 157255025) is 4,18-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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 4,18-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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 4,18-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1cc(-c2ccc3c(c2)B2c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4N(c4ccccc4)c4cc(-c5ccc6c(c5)c5ccc(-c7ccccc7)cc5n6-c5ccc(C(F)(F)F)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(c42)N3c2ccccc2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ccc3c(c2)B2c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4N(c4ccccc4)c4cc(-c5ccc6c(c5)c5ccc(C(C)(C)C)cc5n6-c5ccc(C(F)(F)F)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(c42)N3c2ccccc2)cc(C(C)(C)C)c1.Cc1ccc(-n2c3ccc(-c4cc5c6c(c4)N(c4ccccc4)c4ccc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc4B6c4cc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)ccc4N5c4ccccc4)cc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4,18-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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 AWUCAARQZAJJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H92BN9.C98H84BF3N6.C96H88BF3N6/c1-67-44-50-91(87(54-67)103-113-100(70-36-24-16-25-37-70)110-101(114-103)71-38-26-17-27-39-71)117-90-51-46-72(59-86(90)85-49-45-75(62-94(85)117)102-111-98(68-32-20-14-21-33-68)109-99(112-102)69-34-22-15-23-35-69)78-63-95-97-96(64-78)116(84-42-30-19-31-43-84)93-53-48-74(77-57-81(106(8,9)10)66-82(58-77)107(11,12)13)61-89(93)108(97)88-60-73(47-52-92(88)115(95)83-40-28-18-29-41-83)76-55-79(104(2,3)4)65-80(56-76)105(5,6)7;1-94(2,3)72-48-68(49-73(58-72)95(4,5)6)65-40-45-85-81(53-65)99-82-54-66(69-50-74(96(7,8)9)59-75(51-69)97(10,11)12)41-46-86(82)107(77-36-26-17-27-37-77)89-57-70(56-88(90(89)99)106(85)76-34-24-16-25-35-76)64-39-44-83-79(52-64)78-43-38-67(61-28-18-13-19-29-61)55-87(78)108(83)84-47-42-71(98(100,101)102)60-80(84)93-104-91(62-30-20-14-21-31-62)103-92(105-93)63-32-22-15-23-33-63;1-91(2,3)67-39-41-75-76-50-61(36-42-80(76)106(84(75)58-67)81-45-40-68(96(98,99)100)57-77(81)90-102-88(59-28-20-16-21-29-59)101-89(103-90)60-30-22-17-23-31-60)66-53-85-87-86(54-66)105(74-34-26-19-27-35-74)83-44-38-63(65-48-71(94(10,11)12)56-72(49-65)95(13,14)15)52-79(83)97(87)78-51-62(37-43-82(78)104(85)73-32-24-18-25-33-73)64-46-69(92(4,5)6)55-70(47-64)93(7,8)9/h14-66H,1-13H3;13-60H,1-12H3;16-58H,1-15H3.
What are the key properties of 4,18-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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 4321.99 g/mol, XLogP of 75.23, 31 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4,18-bis(3,5-ditert-butylphenyl)-11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-methylphenyl]carbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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-bis(3,5-ditert-butylphenyl)-11-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]-7-phenylcarbazol-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[7-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-3-yl]-4,18-bis(3,5-ditert-butylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[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 157255025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).