12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene

C403H343B12Cl3F10N22O8S2 — CID 163726212

IUPAC12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene
SMILESCc1cc(C)c(N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(-n6c7c(C(C)(C)C)cc(C(C)(C)C)cc7c7cc(C(C)(C)C)cc(C(C)(C)C)c76)cc2c53)B2c3cc5c(cc3Oc3cc(-n6c7c(C(C)(C)C)cc(C(C)(C)C)cc7c7cc(C(C)(C)C)cc(C(C)(C)C)c76)cc(c32)O4)Nc2cc(-n3c4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c43)cc3c2B5c2ccccc2N3c2ccccc2)c(C)c1.Cc1cc(C)cc(C)c1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)B1c2cc3c(cc2Oc2cc(S(F)(F)(F)(F)F)cc(c21)O4)N(c1ccccc1)c1cc(S(F)(F)(F)(F)F)cc2c1B3c1ccccc1N2c1ccccc1.Cc1cccc(C)c1N(c1cc2c3c(c1)Oc1cc4c(cc1B3c1cc3c(cc1O2)N(c1ccccc1)c1cc(N(c2c(C)cccc2C)c2c(C)cccc2C)cc2c1B3c1ccccc1N2c1ccccc1)B1c2ccccc2N(c2ccccc2)c2cc(N(c3c(C)cccc3C)c3c(C)cccc3C)cc(c21)N4c1ccccc1)c1c(C)cccc1C.Clc1cc2c3c(c1)Oc1cc4c(cc1B3c1cc3c(cc1O2)N(c1ccccc1)c1cc(Cl)cc2c1B3c1ccccc1N2c1ccccc1)B1c2ccccc2N(c2ccccc2)c2cc(Cl)cc(c21)N4c1ccccc1
InChIInChI=1S/C147H160B3N7O2.C114H92B3N7O2.C67H41B3F10N4O2S2.C66H38B3Cl3N4O2.C9H12/c1-82-58-83(2)129(84(3)59-82)157-118-81-123-113(79-111(118)149-109-55-47-49-57-117(109)153(92-52-44-41-45-53-92)120-74-94(75-121(157)127(120)149)155-132-98(62-87(138(10,11)12)68-104(132)144(28,29)30)99-63-88(139(13,14)15)69-105(133(99)155)145(31,32)33)150-112-78-110-114(80-122(112)158-124-76-95(77-125(159-123)128(124)150)156-134-100(64-89(140(16,17)18)70-106(134)146(34,35)36)101-65-90(141(19,20)21)71-107(135(101)156)147(37,38)39)151-115-72-93(73-119-126(115)148(110)108-54-46-48-56-116(108)152(119)91-50-42-40-43-51-91)154-130-96(60-85(136(4,5)6)66-102(130)142(22,23)24)97-61-86(137(7,8)9)67-103(131(97)154)143(25,26)27;1-69-35-29-36-70(2)109(69)122(110-71(3)37-30-38-72(110)4)85-59-98-106-100(61-85)120(83-51-21-15-22-52-83)96-67-102-92(65-90(96)115(106)88-55-25-27-57-94(88)118(98)81-47-17-13-18-48-81)117-93-66-91-97(68-103(93)126-105-64-87(63-104(125-102)108(105)117)124(113-77(9)43-33-44-78(113)10)114-79(11)45-34-46-80(114)12)121(84-53-23-16-24-54-84)101-62-86(123(111-73(5)39-31-40-74(111)6)112-75(7)41-32-42-76(112)8)60-99-107(101)116(91)89-56-26-28-58-95(89)119(99)82-49-19-14-20-50-82;1-40-30-57-65-58(31-40)83(43-22-10-4-11-23-43)55-38-61-51(36-49(55)68(65)47-26-14-16-28-53(47)81(57)41-18-6-2-7-19-41)70-52-37-50-56(39-62(52)86-64-35-46(88(76,77,78,79)80)34-63(85-61)67(64)70)84(44-24-12-5-13-25-44)60-33-45(87(71,72,73,74)75)32-59-66(60)69(50)48-27-15-17-29-54(48)82(59)42-20-8-3-9-21-42;70-39-29-56-64-58(31-39)75(44-21-9-3-10-22-44)54-37-60-50(35-48(54)67(64)46-25-13-15-27-52(46)73(56)42-17-5-1-6-18-42)69-51-36-49-55(38-61(51)78-63-34-41(72)33-62(77-60)66(63)69)76(45-23-11-4-12-24-45)59-32-40(71)30-57-65(59)68(49)47-26-14-16-28-53(47)74(57)43-19-7-2-8-20-43;1-7-4-8(2)6-9(3)5-7/h40-81,151H,1-39H3;13-68H,1-12H3;2-39H,1H3;1-38H;4-6H,1-3H3
InChIKeyKVUJDDFODQVDBN-UHFFFAOYSA-N
MW6112.54 g/mol
LogP90.68
Rot. Bonds29

About 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene

12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene (PubChem CID 163726212) has the molecular formula C403H343B12Cl3F10N22O8S2 and a molecular weight of 6112.54 g/mol. Its IUPAC name is 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene
PubChem CID163726212
Molecular FormulaC403H343B12Cl3F10N22O8S2
Molecular Weight6112.54 g/mol
Exact Mass6108.66
IUPAC Name12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene
SMILESCc1cc(C)c(N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(-n6c7c(C(C)(C)C)cc(C(C)(C)C)cc7c7cc(C(C)(C)C)cc(C(C)(C)C)c76)cc2c53)B2c3cc5c(cc3Oc3cc(-n6c7c(C(C)(C)C)cc(C(C)(C)C)cc7c7cc(C(C)(C)C)cc(C(C)(C)C)c76)cc(c32)O4)Nc2cc(-n3c4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c43)cc3c2B5c2ccccc2N3c2ccccc2)c(C)c1.Cc1cc(C)cc(C)c1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)B1c2cc3c(cc2Oc2cc(S(F)(F)(F)(F)F)cc(c21)O4)N(c1ccccc1)c1cc(S(F)(F)(F)(F)F)cc2c1B3c1ccccc1N2c1ccccc1.Cc1cccc(C)c1N(c1cc2c3c(c1)Oc1cc4c(cc1B3c1cc3c(cc1O2)N(c1ccccc1)c1cc(N(c2c(C)cccc2C)c2c(C)cccc2C)cc2c1B3c1ccccc1N2c1ccccc1)B1c2ccccc2N(c2ccccc2)c2cc(N(c3c(C)cccc3C)c3c(C)cccc3C)cc(c21)N4c1ccccc1)c1c(C)cccc1C.Clc1cc2c3c(c1)Oc1cc4c(cc1B3c1cc3c(cc1O2)N(c1ccccc1)c1cc(Cl)cc2c1B3c1ccccc1N2c1ccccc1)B1c2ccccc2N(c2ccccc2)c2cc(Cl)cc(c21)N4c1ccccc1
InChIInChI=1S/C147H160B3N7O2.C114H92B3N7O2.C67H41B3F10N4O2S2.C66H38B3Cl3N4O2.C9H12/c1-82-58-83(2)129(84(3)59-82)157-118-81-123-113(79-111(118)149-109-55-47-49-57-117(109)153(92-52-44-41-45-53-92)120-74-94(75-121(157)127(120)149)155-132-98(62-87(138(10,11)12)68-104(132)144(28,29)30)99-63-88(139(13,14)15)69-105(133(99)155)145(31,32)33)150-112-78-110-114(80-122(112)158-124-76-95(77-125(159-123)128(124)150)156-134-100(64-89(140(16,17)18)70-106(134)146(34,35)36)101-65-90(141(19,20)21)71-107(135(101)156)147(37,38)39)151-115-72-93(73-119-126(115)148(110)108-54-46-48-56-116(108)152(119)91-50-42-40-43-51-91)154-130-96(60-85(136(4,5)6)66-102(130)142(22,23)24)97-61-86(137(7,8)9)67-103(131(97)154)143(25,26)27;1-69-35-29-36-70(2)109(69)122(110-71(3)37-30-38-72(110)4)85-59-98-106-100(61-85)120(83-51-21-15-22-52-83)96-67-102-92(65-90(96)115(106)88-55-25-27-57-94(88)118(98)81-47-17-13-18-48-81)117-93-66-91-97(68-103(93)126-105-64-87(63-104(125-102)108(105)117)124(113-77(9)43-33-44-78(113)10)114-79(11)45-34-46-80(114)12)121(84-53-23-16-24-54-84)101-62-86(123(111-73(5)39-31-40-74(111)6)112-75(7)41-32-42-76(112)8)60-99-107(101)116(91)89-56-26-28-58-95(89)119(99)82-49-19-14-20-50-82;1-40-30-57-65-58(31-40)83(43-22-10-4-11-23-43)55-38-61-51(36-49(55)68(65)47-26-14-16-28-53(47)81(57)41-18-6-2-7-19-41)70-52-37-50-56(39-62(52)86-64-35-46(88(76,77,78,79)80)34-63(85-61)67(64)70)84(44-24-12-5-13-25-44)60-33-45(87(71,72,73,74)75)32-59-66(60)69(50)48-27-15-17-29-54(48)82(59)42-20-8-3-9-21-42;70-39-29-56-64-58(31-39)75(44-21-9-3-10-22-44)54-37-60-50(35-48(54)67(64)46-25-13-15-27-52(46)73(56)42-17-5-1-6-18-42)69-51-36-49-55(38-61(51)78-63-34-41(72)33-62(77-60)66(63)69)76(45-23-11-4-12-24-45)59-32-40(71)30-57-65(59)68(49)47-26-14-16-28-53(47)74(57)43-19-7-2-8-20-43;1-7-4-8(2)6-9(3)5-7/h40-81,151H,1-39H3;13-68H,1-12H3;2-39H,1H3;1-38H;4-6H,1-3H3
InChIKeyKVUJDDFODQVDBN-UHFFFAOYSA-N
XLogP90.68
TPSA158.98 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms460
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006112.54
LogP ≤ 590.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene?
The IUPAC name of 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene (CID 163726212) is 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene.
What is the SMILES notation for 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene?
The canonical SMILES for 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene is Cc1cc(C)c(N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(-n6c7c(C(C)(C)C)cc(C(C)(C)C)cc7c7cc(C(C)(C)C)cc(C(C)(C)C)c76)cc2c53)B2c3cc5c(cc3Oc3cc(-n6c7c(C(C)(C)C)cc(C(C)(C)C)cc7c7cc(C(C)(C)C)cc(C(C)(C)C)c76)cc(c32)O4)Nc2cc(-n3c4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c43)cc3c2B5c2ccccc2N3c2ccccc2)c(C)c1.Cc1cc(C)cc(C)c1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)B1c2cc3c(cc2Oc2cc(S(F)(F)(F)(F)F)cc(c21)O4)N(c1ccccc1)c1cc(S(F)(F)(F)(F)F)cc2c1B3c1ccccc1N2c1ccccc1.Cc1cccc(C)c1N(c1cc2c3c(c1)Oc1cc4c(cc1B3c1cc3c(cc1O2)N(c1ccccc1)c1cc(N(c2c(C)cccc2C)c2c(C)cccc2C)cc2c1B3c1ccccc1N2c1ccccc1)B1c2ccccc2N(c2ccccc2)c2cc(N(c3c(C)cccc3C)c3c(C)cccc3C)cc(c21)N4c1ccccc1)c1c(C)cccc1C.Clc1cc2c3c(c1)Oc1cc4c(cc1B3c1cc3c(cc1O2)N(c1ccccc1)c1cc(Cl)cc2c1B3c1ccccc1N2c1ccccc1)B1c2ccccc2N(c2ccccc2)c2cc(Cl)cc(c21)N4c1ccccc1.
What is the InChIKey of 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene?
The InChIKey is KVUJDDFODQVDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C147H160B3N7O2.C114H92B3N7O2.C67H41B3F10N4O2S2.C66H38B3Cl3N4O2.C9H12/c1-82-58-83(2)129(84(3)59-82)157-118-81-123-113(79-111(118)149-109-55-47-49-57-117(109)153(92-52-44-41-45-53-92)120-74-94(75-121(157)127(120)149)155-132-98(62-87(138(10,11)12)68-104(132)144(28,29)30)99-63-88(139(13,14)15)69-105(133(99)155)145(31,32)33)150-112-78-110-114(80-122(112)158-124-76-95(77-125(159-123)128(124)150)156-134-100(64-89(140(16,17)18)70-106(134)146(34,35)36)101-65-90(141(19,20)21)71-107(135(101)156)147(37,38)39)151-115-72-93(73-119-126(115)148(110)108-54-46-48-56-116(108)152(119)91-50-42-40-43-51-91)154-130-96(60-85(136(4,5)6)66-102(130)142(22,23)24)97-61-86(137(7,8)9)67-103(131(97)154)143(25,26)27;1-69-35-29-36-70(2)109(69)122(110-71(3)37-30-38-72(110)4)85-59-98-106-100(61-85)120(83-51-21-15-22-52-83)96-67-102-92(65-90(96)115(106)88-55-25-27-57-94(88)118(98)81-47-17-13-18-48-81)117-93-66-91-97(68-103(93)126-105-64-87(63-104(125-102)108(105)117)124(113-77(9)43-33-44-78(113)10)114-79(11)45-34-46-80(114)12)121(84-53-23-16-24-54-84)101-62-86(123(111-73(5)39-31-40-74(111)6)112-75(7)41-32-42-76(112)8)60-99-107(101)116(91)89-56-26-28-58-95(89)119(99)82-49-19-14-20-50-82;1-40-30-57-65-58(31-40)83(43-22-10-4-11-23-43)55-38-61-51(36-49(55)68(65)47-26-14-16-28-53(47)81(57)41-18-6-2-7-19-41)70-52-37-50-56(39-62(52)86-64-35-46(88(76,77,78,79)80)34-63(85-61)67(64)70)84(44-24-12-5-13-25-44)60-33-45(87(71,72,73,74)75)32-59-66(60)69(50)48-27-15-17-29-54(48)82(59)42-20-8-3-9-21-42;70-39-29-56-64-58(31-39)75(44-21-9-3-10-22-44)54-37-60-50(35-48(54)67(64)46-25-13-15-27-52(46)73(56)42-17-5-1-6-18-42)69-51-36-49-55(38-61(51)78-63-34-41(72)33-62(77-60)66(63)69)76(45-23-11-4-12-24-45)59-32-40(71)30-57-65(59)68(49)47-26-14-16-28-53(47)74(57)43-19-7-2-8-20-43;1-7-4-8(2)6-9(3)5-7/h40-81,151H,1-39H3;13-68H,1-12H3;2-39H,1H3;1-38H;4-6H,1-3H3.
What are the key properties of 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene?
12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene has a molecular weight of 6112.54 g/mol, XLogP of 90.68, 29 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 12,38-diphenyl-15,25,35-tris(1,3,6,8-tetratert-butylcarbazol-9-yl)-18-(2,4,6-trimethylphenyl)-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene;15-N,15-N,25-N,25-N,35-N,35-N-hexakis(2,6-dimethylphenyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;pentafluoro-[15-methyl-35-(pentafluoro-λ6-sulfanyl)-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaen-25-yl]-λ6-sulfane;15,25,35-trichloro-12,18,32,38-tetraphenyl-22,28-dioxa-12,18,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;1,3,5-trimethylbenzene is sourced from PubChem (CID 163726212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).