About 15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene
15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene (PubChem CID 163796886) has the molecular formula C466H364B12F8N30S8
and a molecular weight of 6922.51 g/mol. Its IUPAC name is 15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene.
Frequently Asked Questions
What is the IUPAC name of 15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene?
The IUPAC name of 15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene (CID 163796886) is 15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene.
What is the SMILES notation for 15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene?
The canonical SMILES for 15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene is Cc1cc(C)c(-c2cc3c4c(c2)N(c2ccccc2)c2c(sc5ccccc25)B4c2cc4c(cc2N3)N(c2c(C)cc(C)cc2C)c2cc(-c3c(C)cc(C)cc3C)cc3c2B4c2cc4c(cc2N3c2c(C)cc(C)cc2C)N(c2c(C)cc(C)cc2C)c2cc(-c3c(C)cc(C)cc3C)cc3c2B4c2sc4ccccc4c2N3c2ccccc2)c(C)c1.Cc1cc(C)c(N2c3cc4c(cc3B3c5cc6c(cc5N(c5c(C)cc(C)cc5C)c5cc(C)cc2c53)N(c2c(C)cc(C)cc2C)c2cc(C)cc3c2B6c2sc5ccccc5c2N3c2ccccc2)B2c3sc5ccccc5c3N(c3ccccc3)c3cc(C)cc(c32)N4)c(C)c1.Cc1cc(C)c(N2c3cc4c(cc3B3c5cc6c(cc5N(c5c(C)cc(C)cc5C)c5cc(N(c7ccccc7)c7ccccc7)cc2c53)N(c2c(C)cc(C)cc2C)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B6c2sc5ccccc5c2N3c2ccccc2)B2c3sc5ccccc5c3N(c3ccccc3)c3cc(N(c5ccccc5)c5ccccc5)cc(c32)N4)c(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Fc1cccc(F)c1N1c2cc3c(cc2B2c4cc5c(cc4N(c4c(F)cccc4F)c4cc(N(c6ccccc6)c6ccccc6)cc1c42)N(c1c(F)cccc1F)c1cc(N(c2ccccc2)c2ccccc2)cc2c1B5c1sc4ccccc4c1N2c1ccccc1)B1c2sc4ccccc4c2N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc(c21)N3c1c(F)cccc1F.
What is the InChIKey of 15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene?
The InChIKey is NBOPVVGNSSGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H92B3N9S2.C118H70B3F8N9S2.C112H95B3N6S2.C88H71B3N6S2.3C9H12/c1-74-58-77(4)115(78(5)59-74)131-102-72-100-96(123-112-101(125-100)64-91(126(83-38-18-10-19-39-83)84-40-20-11-21-41-84)65-105(112)129(89-50-30-16-31-51-89)118-94-54-34-36-56-110(94)134-120(118)123)70-97(102)122-98-71-99-104(73-103(98)132(116-79(6)60-75(2)61-80(116)7)108-68-93(67-107(131)113(108)122)128(87-46-26-14-27-47-87)88-48-28-15-29-49-88)133(117-81(8)62-76(3)63-82(117)9)109-69-92(127(85-42-22-12-23-43-85)86-44-24-13-25-45-86)66-106-114(109)124(99)121-119(95-55-35-37-57-111(95)135-121)130(106)90-52-32-17-33-53-90;122-88-51-29-52-89(123)113(88)135-96-69-98-86(120-109-100(133(77-45-21-7-22-46-77)111-82-49-25-27-59-106(82)139-117(111)120)61-79(65-104(109)137(98)115-92(126)55-31-56-93(115)127)130(71-33-9-1-10-34-71)72-35-11-2-12-36-72)67-84(96)119-85-68-87-99(70-97(85)136(114-90(124)53-30-54-91(114)125)103-64-81(63-102(135)108(103)119)132(75-41-17-5-18-42-75)76-43-19-6-20-44-76)138(116-94(128)57-32-58-95(116)129)105-66-80(131(73-37-13-3-14-38-73)74-39-15-4-16-40-74)62-101-110(105)121(87)118-112(83-50-26-28-60-107(83)140-118)134(101)78-47-23-8-24-48-78;1-59-37-65(7)100(66(8)38-59)77-49-89-103-93(50-77)117(80-29-21-19-22-30-80)109-82-33-25-27-35-98(82)122-111(109)114(103)84-55-85-90(57-88(84)116-89)119(106-71(13)43-62(4)44-72(106)14)95-52-79(102-69(11)41-61(3)42-70(102)12)53-96-104(95)113(85)86-56-87-92(58-91(86)120(96)107-73(15)45-63(5)46-74(107)16)121(108-75(17)47-64(6)48-76(108)18)97-54-78(101-67(9)39-60(2)40-68(101)10)51-94-105(97)115(87)112-110(83-34-26-28-36-99(83)123-112)118(94)81-31-23-20-24-32-81;1-47-31-53(7)82(54(8)32-47)95-69-45-67-63(90-79-68(92-67)37-50(4)38-72(79)93(59-23-15-13-16-24-59)85-61-27-19-21-29-77(61)98-87(85)90)43-64(69)89-65-44-66-71(46-70(65)96(75-41-52(6)40-74(95)80(75)89)83-55(9)33-48(2)34-56(83)10)97(84-57(11)35-49(3)36-58(84)12)76-42-51(5)39-73-81(76)91(66)88-86(62-28-20-22-30-78(62)99-88)94(73)60-25-17-14-18-26-60;3*1-7-4-8(2)6-9(3)5-7/h10-73,125H,1-9H3;1-70H;19-58,116H,1-18H3;13-46,92H,1-12H3;3*4-6H,1-3H3.
What are the key properties of 15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene?
15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene has a molecular weight of 6922.51 g/mol, XLogP of 107.07, 42 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 15,41-diphenyl-18,21,25,28,31,38-hexakis(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine;21,25,31,35-tetrakis(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N,15,41-octakis-phenyl-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36,38,40(56),42(50),43,45,47,53-tricosaene-18,28,38-triamine;tris(1,3,5-trimethylbenzene);18,28,38-trimethyl-15,41-diphenyl-21,25,31-tris(2,4,6-trimethylphenyl)-7,49-dithia-15,21,25,31,35,41-hexaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16(57),17,19,23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene is sourced from PubChem (CID 163796886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).