About 35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine
35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine (PubChem CID 163484715) has the molecular formula C369H286B12F6N18O15S8
and a molecular weight of 5712.73 g/mol. Its IUPAC name is 35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine.
Frequently Asked Questions
What is the IUPAC name of 35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine?
The IUPAC name of 35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine (CID 163484715) is 35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine.
What is the SMILES notation for 35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine?
The canonical SMILES for 35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine is CCC(C)(C)c1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cc4c(cc1B3c1sc3ccc(C(C)(C)CC)cc3c1O2)B1c2cc3c(cc2Oc2cc(C(C)(C)CC)cc(c21)N4c1c(C)cc(C)cc1C)N(c1c(C)cc(C)cc1C)c1cc(C(C)(C)CC)cc2c1B3c1sc3ccc(C(C)(C)CC)cc3c1O2.CN1c2cc3c(cc2B2c4cc5c(cc4Oc4cc(Oc6ccccc6)cc1c42)N(C)c1cc(Oc2ccccc2)cc2c1B5c1sc4ccccc4c1O2)B1c2sc4ccccc4c2Oc2cc(Oc4ccccc4)cc(c21)N3C.Cc1ccccc1N1c2cc3c(cc2B2c4cc5c(cc4Oc4cc(N(c6ccccc6)c6ccccc6)cc1c42)N(c1ccccc1C)c1cc(N(c2ccccc2)c2ccccc2)cc2c1B5c1sc(C(C)(C)C)cc1O2)B1c2sc(C(C)(C)C)cc2Oc2cc(N(c4ccccc4)c4ccccc4)cc(c21)N3c1ccccc1C.Fc1cccc(F)c1N1c2cc3c(cc2B2c4cc5c(cc4Oc4cc(N(c6ccccc6)c6ccccc6)cc1c42)N(c1c(F)cccc1F)c1cc(N(c2ccccc2)c2ccccc2)cc2c1B5c1sc4ccccc4c1O2)B1c2sc4ccccc4c2Oc2cc(N(c4ccccc4)c4ccccc4)cc(c21)N3c1c(F)cccc1F.
What is the InChIKey of 35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine?
The InChIKey is CHPIAPUVUJKIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H81B3N6O3S2.C100H57B3F6N6O3S2.C99H106B3N3O3S2.C67H42B3N3O6S2/c1-64-34-28-31-49-80(64)110-83-60-84-77(105-98-87(111(84)81-50-32-29-35-65(81)2)53-74(56-91(98)114-93-62-95(102(4,5)6)116-100(93)105)108(69-41-20-12-21-42-69)70-43-22-13-23-44-70)58-76(83)104-79-59-78-85(61-89(79)113-90-55-73(52-86(110)97(90)104)107(67-37-16-10-17-38-67)68-39-18-11-19-40-68)112(82-51-33-30-36-66(82)3)88-54-75(109(71-45-24-14-25-46-71)72-47-26-15-27-48-72)57-92-99(88)106(78)101-94(115-92)63-96(117-101)103(7,8)9;104-73-40-23-41-74(105)94(73)113-79-56-80-70(102-92-83(114(80)95-75(106)42-24-43-76(95)107)49-65(111(60-30-11-3-12-31-60)61-32-13-4-14-33-61)52-87(92)117-97-67-38-19-21-46-89(67)119-99(97)102)54-69(79)101-72-55-71-81(57-85(72)116-86-51-64(48-82(113)91(86)101)110(58-26-7-1-8-27-58)59-28-9-2-10-29-59)115(96-77(108)44-25-45-78(96)109)84-50-66(112(62-34-15-5-16-35-62)63-36-17-6-18-37-63)53-88-93(84)103(71)100-98(118-88)68-39-20-22-47-90(68)120-100;1-25-95(15,16)61-32-36-83-67(42-61)90-92(109-83)101-70-50-69-74(52-73(70)103(66-34-30-60(31-35-66)94(12,13)14)76-44-63(97(19,20)27-3)48-81(107-90)86(76)101)104(88-56(8)38-54(6)39-57(88)9)77-45-64(98(21,22)28-4)47-80-85(77)100(69)72-51-71-75(53-79(72)106-80)105(89-58(10)40-55(7)41-59(89)11)78-46-65(99(23,24)29-5)49-82-87(78)102(71)93-91(108-82)68-43-62(96(17,18)26-2)33-37-84(68)110-93;1-71-49-35-50-46(69-62-53(72(50)2)28-41(75-38-19-9-5-10-20-38)31-57(62)78-64-43-23-13-15-25-59(43)80-66(64)69)33-45(49)68-48-34-47-51(36-55(48)77-56-30-40(27-52(71)61(56)68)74-37-17-7-4-8-18-37)73(3)54-29-42(76-39-21-11-6-12-22-39)32-58-63(54)70(47)67-65(79-58)44-24-14-16-26-60(44)81-67/h10-63H,1-9H3;1-57H;30-53H,25-29H2,1-24H3;4-36H,1-3H3.
What are the key properties of 35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine?
35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine has a molecular weight of 5712.73 g/mol, XLogP of 80.05, 43 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-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),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine is sourced from PubChem (CID 163484715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).