About 15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene
15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene (PubChem CID 163782539) has the molecular formula C456H272B18N22O14
and a molecular weight of 6477.95 g/mol. Its IUPAC name is 15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene.
Frequently Asked Questions
What is the IUPAC name of 15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene?
The IUPAC name of 15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene (CID 163782539) is 15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene.
What is the SMILES notation for 15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene?
The canonical SMILES for 15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene is c1ccc(N2c3cc4c(cc3B3c5ccccc5Oc5cccc2c53)c2c3c(ccc2c2ccc5c(c24)Oc2cccc4c2B5c2ccccc2N4c2ccccc2)B2c4ccccc4N(c4ccccc4)c4cccc(c42)O3)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5Oc5cccc2c53)c2cc3c(cc2c2cc5c(cc24)N(c2ccccc2)c2cccc4c2B5c2ccccc2N4c2ccccc2)B2c4ccccc4N(c4ccccc4)c4cccc(c42)N3c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5Oc5cccc2c53)c2cc3c(cc2c2cc5c(cc42)B2c4ccccc4Oc4cccc(c42)N5c2ccccc2)N(c2ccccc2)c2cccc4c2B3c2ccccc2O4)cc1.c1ccc(N2c3ccccc3B3c4cc5c(cc4Oc4cccc2c43)c2cc3c(cc2c2cc4c(cc25)B2c5ccccc5N(c5ccccc5)c5cccc(c52)O4)N(c2ccccc2)c2cccc4c2B3c2ccccc2O4)cc1.c1ccc(N2c3ccccc3B3c4cc5c(cc4Oc4cccc2c43)c2cc3c(cc2c2cc4c(cc52)B2c5ccccc5N(c5ccccc5)c5cccc(c52)N4c2ccccc2)N(c2ccccc2)c2cccc4c2B3c2ccccc2N4c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4cc5c(cc4Oc4cccc2c43)c2cc3c(cc2c2cc4c(cc52)B2c5ccccc5Oc5cccc(c52)N4c2ccccc2)N(c2ccccc2)c2cccc4c2B3c2ccccc2O4)cc1.
What is the InChIKey of 15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene?
The InChIKey is MPUJSMVMDJDGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C84H52B3N5O.4C72H42B3N3O3/c1-6-25-53(26-7-1)88-70-38-19-16-35-64(70)85-67-47-58-59-48-68-78(91(56-31-12-4-13-32-56)75-43-23-41-73-83(75)86(68)65-36-17-20-39-71(65)89(73)54-27-8-2-9-28-54)51-62(59)63-52-79-69(49-60(63)61(58)50-77(67)90(55-29-10-3-11-30-55)74-42-22-40-72(88)82(74)85)87-66-37-18-21-45-80(66)93-81-46-24-44-76(84(81)87)92(79)57-33-14-5-15-34-57;1-6-25-53(26-7-1)88-70-38-19-16-35-64(70)85-67-47-58-60-49-69-81(93-80-46-24-45-77-84(80)87(69)66-37-18-21-40-72(66)90(77)55-29-10-3-11-30-55)52-63(60)59-48-68-79(51-62(59)61(58)50-78(67)91(56-31-12-4-13-32-56)75-43-22-41-73(88)82(75)85)92(57-33-14-5-15-34-57)76-44-23-42-74-83(76)86(68)65-36-17-20-39-71(65)89(74)54-27-8-2-9-28-54;1-4-19-43(20-5-1)76-58-28-16-34-67-70(58)73(52-25-10-13-31-64(52)79-67)55-37-46-47-38-56-62(77(44-21-6-2-7-22-44)59-29-17-35-68-71(59)74(56)53-26-11-14-32-65(53)80-68)41-50(47)51-42-63-57(39-48(51)49(46)40-61(55)76)75-54-27-12-15-33-66(54)81-69-36-18-30-60(72(69)75)78(63)45-23-8-3-9-24-45;1-4-19-43(20-5-1)76-58-28-13-10-25-52(58)73-57-39-48-46-37-55-62(77(44-21-6-2-7-22-44)60-30-17-34-66-71(60)74(55)53-26-11-14-32-64(53)79-66)40-49(46)50-41-63-56(38-47(50)51(48)42-69(57)81-68-36-16-29-59(76)70(68)73)75-54-27-12-15-33-65(54)80-67-35-18-31-61(72(67)75)78(63)45-23-8-3-9-24-45;1-4-19-43(20-5-1)76-56-28-13-10-25-50(56)73-53-39-37-46-47-38-40-54-72(81-65-36-18-31-59-70(65)74(54)51-26-11-14-29-57(51)77(59)44-21-6-2-7-22-44)67(47)49-42-61-55(41-48(49)66(46)71(53)80-64-35-17-30-58(76)69(64)73)75-52-27-12-15-33-62(52)79-63-34-16-32-60(68(63)75)78(61)45-23-8-3-9-24-45;1-4-19-43(20-5-1)76-58-28-13-10-25-52(58)73-56-38-47-48-39-57-69(81-67-36-17-31-61-71(67)74(57)53-26-11-14-29-59(53)77(61)44-21-6-2-7-22-44)42-51(48)49-40-63-55(37-46(49)50(47)41-68(56)80-66-35-16-30-60(76)70(66)73)75-54-27-12-15-33-64(54)79-65-34-18-32-62(72(65)75)78(63)45-23-8-3-9-24-45/h2*1-52H;4*1-42H.
What are the key properties of 15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene?
15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene has a molecular weight of 6477.95 g/mol, XLogP of 80.88, 22 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene is sourced from PubChem (CID 163782539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).