About 4-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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 167692532) has the molecular formula C291H222B6N18
and a molecular weight of 4035.97 g/mol. Its IUPAC name is 4-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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 167692532) is 4-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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 Cc1ccc(N2c3ccc(C)cc3B3c4cc(-c5cc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C(C)(C)C)cc(c86)N7c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C(C)(C)C)cc(c86)N7c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)ccc4N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc(C(C)(C)C)cc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(-c5cc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C)cc(c86)N7c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C)cc(c86)N7c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)ccc4N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc(C)cc2c43)cc1.
What is the InChIKey of 4-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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 XDWPQPSUPNQJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H120B3N9.C141H102B3N9/c1-91-40-52-106(53-41-91)157-133-70-46-94(4)76-121(133)151-124-82-97(49-73-136(124)160(142-88-103(148(7,8)9)85-139(157)145(142)151)112-64-58-109(59-65-112)154-127-34-22-16-28-115(127)116-29-17-23-35-128(116)154)100-79-101(98-50-74-137-125(83-98)152-122-77-95(5)47-71-134(122)158(107-54-42-92(2)43-55-107)140-86-104(149(10,11)12)89-143(146(140)152)161(137)113-66-60-110(61-67-113)155-129-36-24-18-30-117(129)118-31-19-25-37-130(118)155)81-102(80-100)99-51-75-138-126(84-99)153-123-78-96(6)48-72-135(123)159(108-56-44-93(3)45-57-108)141-87-105(150(13,14)15)90-144(147(141)153)162(138)114-68-62-111(63-69-114)156-131-38-26-20-32-119(131)120-33-21-27-39-132(120)156;1-85-34-46-100(47-35-85)148-127-64-40-88(4)70-115(127)142-118-82-94(43-67-130(118)151(136-76-91(7)73-133(148)139(136)142)106-58-52-103(53-59-106)145-121-28-16-10-22-109(121)110-23-11-17-29-122(110)145)97-79-98(95-44-68-131-119(83-95)143-116-71-89(5)41-65-128(116)149(101-48-36-86(2)37-49-101)134-74-92(8)77-137(140(134)143)152(131)107-60-54-104(55-61-107)146-123-30-18-12-24-111(123)112-25-13-19-31-124(112)146)81-99(80-97)96-45-69-132-120(84-96)144-117-72-90(6)42-66-129(117)150(102-50-38-87(3)39-51-102)135-75-93(9)78-138(141(135)144)153(132)108-62-56-105(57-63-108)147-125-32-20-14-26-113(125)114-27-15-21-33-126(114)147/h16-90H,1-15H3;10-84H,1-9H3.
What are the key properties of 4-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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 4035.97 g/mol, XLogP of 64.97, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-11-tert-butyl-8-(4-carbazol-9-ylphenyl)-18-methyl-14-(4-methylphenyl)-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-[3,5-bis[8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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-nonaen-4-yl]phenyl]-8-(4-carbazol-9-ylphenyl)-11,18-dimethyl-14-(4-methylphenyl)-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 167692532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).