About 8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene
8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene (PubChem CID 163883114) has the molecular formula C413H301B11N28O2S3
and a molecular weight of 5903.28 g/mol. Its IUPAC name is 8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene.
Frequently Asked Questions
What is the IUPAC name of 8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene?
The IUPAC name of 8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene (CID 163883114) is 8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene.
What is the SMILES notation for 8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene?
The canonical SMILES for 8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene is CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)N(c1ccccc1)c1cc(C(C)(C)C)cc2c1B4C1C(c3ccccc3C1(C)C)N2c1ccccc1.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)N(c1ccccc1)c1cc(C(C)(C)C)cc2c1B4c1oc3ccccc3c1N2c1ccccc1.CC1(C)C2=C(c3ccccc31)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1cc2c(cc1N3c1ccccc1)C1c3ccccc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c31)N2c1ccccc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B5c2sc4ccccc4c2N3c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5cc6c(cc5N(c5ccccc5)c5cccc2c53)sc2ccccc26)N(c2ccccc2)c2cccc3c2B4c2sc4ccccc4c2N3c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4cc5c(cc4N(c4ccccc4)c4cccc2c43)B2c3oc4ccccc4c3N(c3ccccc3)c3cccc(c32)N5c2ccccc2)cc1.
What is the InChIKey of 8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene?
The InChIKey is PUZUEWKCNZDFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H61BN6.C80H54B2N6S.C67H60B2N4.C64H52B2N4O.C62H38B2N4S2.C56H36B2N4O/c1-84(2)70-49-29-27-47-67(70)82-83(84)85-71-56-73-69(55-74(71)90(63-43-23-9-24-44-63)77-53-66(54-78(81(77)85)91(82)64-45-25-10-26-46-64)87(59-35-15-5-16-36-59)60-37-17-6-18-38-60)79-68-48-28-30-50-72(68)88(61-39-19-7-20-40-61)75-51-65(52-76(80(75)79)89(73)62-41-21-8-22-42-62)86(57-31-11-3-12-32-57)58-33-13-4-14-34-58;1-9-29-55(30-10-1)83(56-31-11-2-12-32-56)63-49-72-77-73(50-63)86(60-39-19-6-20-40-60)70-54-68-71(53-67(70)81(77)66-46-26-27-47-69(66)85(72)59-37-17-5-18-38-59)87(61-41-21-7-22-42-61)74-51-64(84(57-33-13-3-14-34-57)58-35-15-4-16-36-58)52-75-78(74)82(68)80-79(65-45-25-28-48-76(65)89-80)88(75)62-43-23-8-24-44-62;1-65(2,3)43-37-57-61-58(38-43)71(46-27-15-10-16-28-46)55-42-53-56(41-52(55)68(61)51-35-23-24-36-54(51)70(57)45-25-13-9-14-26-45)72(47-29-17-11-18-30-47)59-39-44(66(4,5)6)40-60-62(59)69(53)64-63(73(60)48-31-19-12-20-32-48)49-33-21-22-34-50(49)67(64,7)8;1-63(2,3)41-35-54-59-55(36-41)68(44-25-13-8-14-26-44)52-40-50-53(39-49(52)65(59)48-32-20-21-33-51(48)67(54)43-23-11-7-12-24-43)69(45-27-15-9-16-28-45)56-37-42(64(4,5)6)38-57-60(56)66(50)62-61(47-31-19-22-34-58(47)71-62)70(57)46-29-17-10-18-30-46;1-5-19-39(20-6-1)65-49-29-17-30-50-59(49)63(46-35-45-43-27-13-15-33-56(43)69-58(45)38-55(46)67(50)41-23-9-3-10-24-41)47-36-54-48(37-53(47)65)64-60-51(66(54)40-21-7-2-8-22-40)31-18-32-52(60)68(42-25-11-4-12-26-42)61-44-28-14-16-34-57(44)70-62(61)64;1-5-19-37(20-6-1)59-45-29-15-14-28-42(45)57-43-35-51-44(36-50(43)60(38-21-7-2-8-22-38)47-31-17-30-46(59)53(47)57)58-54-48(61(51)39-23-9-3-10-24-39)32-18-33-49(54)62(40-25-11-4-12-26-40)55-41-27-13-16-34-52(41)63-56(55)58/h3-56,79H,1-2H3;1-54H;9-42,63-64H,1-8H3;7-40H,1-6H3;1-38H;1-36H.
What are the key properties of 8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene?
8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene has a molecular weight of 5903.28 g/mol, XLogP of 90.70, 36 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 8,25-ditert-butyl-36,36-dimethyl-5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,30,32,34-pentadecaene;8,25-ditert-butyl-5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene;36,36-dimethyl-8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-5,11,22,28-tetraza-1-boradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2,4(19),6,8,10(39),12,14,16,20,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;8-N,8-N,25-N,25-N,5,11,22,28-octakis-phenyl-36-thia-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene-8,25-diamine;5,11,25,31-tetraphenyl-19,35-dithia-5,11,25,31-tetraza-1,21-diboradodecacyclo[24.18.1.16,10.02,24.04,22.012,20.013,18.030,45.032,44.034,42.036,41.021,46]hexatetraconta-2,4(22),6(46),7,9,12(20),13,15,17,23,26(45),27,29,32,34(42),36,38,40,43-nonadecaene;5,11,22,28-tetraphenyl-36-oxa-5,11,22,28-tetraza-1,18-diboradecacyclo[21.14.1.16,10.02,21.04,19.012,17.027,38.029,37.030,35.018,39]nonatriaconta-2(21),3,6,8,10(39),12,14,16,19,23(38),24,26,29(37),30,32,34-hexadecaene is sourced from PubChem (CID 163883114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).