14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene

C503H318B10N26O15 — CID 158395678

IUPAC14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4c(c21)Oc1c2c(cc5c1C(C)(C)c1cc(N(c6ccccc6)c6ccccc6)ccc1-5)N(c1ccccc1)c1cccc(c1B42)N3c1ccccc1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc(Oc4ccccc4)cc4c1B3c1c(cc(Oc3ccccc3)cc1N4c1ccccc1)O2.c1ccc(-c2cc(-c3ccccc3)c3c4c2N(c2ccccc2)c2cc(N(c5ccccc5)c5ccccc5)cc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)cc2N3c2ccccc2)O5)cc1.c1ccc(-c2ccc(N3c4cccc5c4B4c6c(cccc6N(c6ccc(-c7ccccc7)cc6)c6cccc3c64)O5)cc2)cc1.c1ccc(N2c3cccc4c3B3c5c(cc(-c6c7ccccc7c(-c7ccc8oc9cc%10ccccc%10cc9c8c7)c7ccccc67)cc5N(c5ccccc5)c5cccc2c53)O4)cc1.c1ccc(N2c3cccc4c3B3c5c(cccc5N(c5ccc6c7ccccc7c7ccccc7c6c5)c5cccc2c53)O4)cc1.c1ccc(N2c3cccc4c3B3c5c2cc2c(c5Oc5c3c(cc3c5c5ccccc5n3-c3ccccc3)N4c3ccccc3)c3ccccc3n2-c2ccccc2)cc1.c1ccc(N2c3cccc4c3B3c5c2cc2c(oc6ccccc62)c5Oc2c3c(cc3c2oc2ccccc23)N4c2ccccc2)cc1.c1ccc(N2c3cccc4c3B3c5c2cccc5N(c2ccccc2)c2c3c(c3ccc5cccc6ccc2c3c56)O4)cc1.c1ccc(N2c3cccc4c3B3c5c2cccc5N(c2ccccc2)c2cc5c6ccccc6c6ccccc6c5c(c23)O4)cc1
InChIInChI=1S/C72H53BN4O.C66H45BN4O.C60H35BN2O2.C54H33BN4O.C43H29BN2O3.C42H23BN2O3.2C42H25BN2O.C42H27BN2O.C40H23BN2O/c1-71(2)58-42-52(74(46-24-11-5-12-25-46)47-26-13-6-14-27-47)38-40-54(58)56-44-62-67-69(64(56)71)78-70-65-57(55-41-39-53(43-59(55)72(65,3)4)75(48-28-15-7-16-29-48)49-30-17-8-18-31-49)45-63-68(70)73(67)66-60(76(62)50-32-19-9-20-33-50)36-23-37-61(66)77(63)51-34-21-10-22-35-51;1-9-25-46(26-10-1)56-45-57(47-27-11-2-12-28-47)66-64-65(56)70(52-37-21-7-22-38-52)58-41-54(68(48-29-13-3-14-30-48)49-31-15-4-16-32-49)43-60-62(58)67(64)63-59(71(66)53-39-23-8-24-40-53)42-55(44-61(63)72-60)69(50-33-17-5-18-34-50)51-35-19-6-20-36-51;1-3-17-40(18-4-1)62-48-25-13-26-49-58(48)61-59-50(62)27-14-28-53(59)65-55-35-39(33-51(60(55)61)63(49)41-19-5-2-6-20-41)57-44-23-11-9-21-42(44)56(43-22-10-12-24-45(43)57)38-29-30-52-46(32-38)47-31-36-15-7-8-16-37(36)34-54(47)64-52;1-5-18-34(19-6-1)56-40-28-15-13-26-38(40)48-44(56)32-46-51-53(48)60-54-49-39-27-14-16-29-41(39)57(35-20-7-2-8-21-35)45(49)33-47-52(54)55(51)50-42(58(46)36-22-9-3-10-23-36)30-17-31-43(50)59(47)37-24-11-4-12-25-37;1-28-22-35-42-39(23-28)49-40-27-34(48-32-20-12-5-13-21-32)26-38-43(40)44(42)41-36(45(35)29-14-6-2-7-15-29)24-33(47-31-18-10-4-11-19-31)25-37(41)46(38)30-16-8-3-9-17-30;1-3-12-24(13-4-1)44-30-18-11-19-31-36(30)43-37-32(44)22-28-26-16-7-9-20-34(26)46-39(28)41(37)48-42-38(43)33(45(31)25-14-5-2-6-15-25)23-29-27-17-8-10-21-35(27)47-40(29)42;1-3-13-26(14-4-1)44-33-21-11-22-34-39(33)43-40-35(44)23-12-24-37(40)46-42-38-31-20-10-9-18-29(31)28-17-7-8-19-30(28)32(38)25-36(41(42)43)45(34)27-15-5-2-6-16-27;1-2-11-26(12-3-1)44-34-17-8-18-35-40(34)43-41-36(44)19-9-21-38(41)46-39-22-10-20-37(42(39)43)45(35)27-23-24-32-30-15-5-4-13-28(30)29-14-6-7-16-31(29)33(32)25-27;1-3-10-28(11-4-1)30-20-24-32(25-21-30)44-34-14-7-15-35-40(34)43-41-36(44)16-8-18-38(41)46-39-19-9-17-37(42(39)43)45(35)33-26-22-31(23-27-33)29-12-5-2-6-13-29;1-3-12-26(13-4-1)42-30-16-8-17-31-36(30)41-37-32(42)18-9-19-33(37)44-40-29-23-21-25-11-7-10-24-20-22-28(35(29)34(24)25)39(38(40)41)43(31)27-14-5-2-6-15-27/h5-45H,1-4H3;1-45H;1-35H;1-33H;2-27H,1H3;1-23H;2*1-25H;1-27H;1-23H
InChIKeyGXNACOZVWOLTJO-UHFFFAOYSA-N
MW7074.36 g/mol
LogP116.30
Rot. Bonds44

About 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene

14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene (PubChem CID 158395678) has the molecular formula C503H318B10N26O15 and a molecular weight of 7074.36 g/mol. Its IUPAC name is 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene.

Molecular Properties

Compound Name14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene
PubChem CID158395678
Molecular FormulaC503H318B10N26O15
Molecular Weight7074.36 g/mol
Exact Mass7070.59
IUPAC Name14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4c(c21)Oc1c2c(cc5c1C(C)(C)c1cc(N(c6ccccc6)c6ccccc6)ccc1-5)N(c1ccccc1)c1cccc(c1B42)N3c1ccccc1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc(Oc4ccccc4)cc4c1B3c1c(cc(Oc3ccccc3)cc1N4c1ccccc1)O2.c1ccc(-c2cc(-c3ccccc3)c3c4c2N(c2ccccc2)c2cc(N(c5ccccc5)c5ccccc5)cc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)cc2N3c2ccccc2)O5)cc1.c1ccc(-c2ccc(N3c4cccc5c4B4c6c(cccc6N(c6ccc(-c7ccccc7)cc6)c6cccc3c64)O5)cc2)cc1.c1ccc(N2c3cccc4c3B3c5c(cc(-c6c7ccccc7c(-c7ccc8oc9cc%10ccccc%10cc9c8c7)c7ccccc67)cc5N(c5ccccc5)c5cccc2c53)O4)cc1.c1ccc(N2c3cccc4c3B3c5c(cccc5N(c5ccc6c7ccccc7c7ccccc7c6c5)c5cccc2c53)O4)cc1.c1ccc(N2c3cccc4c3B3c5c2cc2c(c5Oc5c3c(cc3c5c5ccccc5n3-c3ccccc3)N4c3ccccc3)c3ccccc3n2-c2ccccc2)cc1.c1ccc(N2c3cccc4c3B3c5c2cc2c(oc6ccccc62)c5Oc2c3c(cc3c2oc2ccccc23)N4c2ccccc2)cc1.c1ccc(N2c3cccc4c3B3c5c2cccc5N(c2ccccc2)c2c3c(c3ccc5cccc6ccc2c3c56)O4)cc1.c1ccc(N2c3cccc4c3B3c5c2cccc5N(c2ccccc2)c2cc5c6ccccc6c6ccccc6c5c(c23)O4)cc1
InChIInChI=1S/C72H53BN4O.C66H45BN4O.C60H35BN2O2.C54H33BN4O.C43H29BN2O3.C42H23BN2O3.2C42H25BN2O.C42H27BN2O.C40H23BN2O/c1-71(2)58-42-52(74(46-24-11-5-12-25-46)47-26-13-6-14-27-47)38-40-54(58)56-44-62-67-69(64(56)71)78-70-65-57(55-41-39-53(43-59(55)72(65,3)4)75(48-28-15-7-16-29-48)49-30-17-8-18-31-49)45-63-68(70)73(67)66-60(76(62)50-32-19-9-20-33-50)36-23-37-61(66)77(63)51-34-21-10-22-35-51;1-9-25-46(26-10-1)56-45-57(47-27-11-2-12-28-47)66-64-65(56)70(52-37-21-7-22-38-52)58-41-54(68(48-29-13-3-14-30-48)49-31-15-4-16-32-49)43-60-62(58)67(64)63-59(71(66)53-39-23-8-24-40-53)42-55(44-61(63)72-60)69(50-33-17-5-18-34-50)51-35-19-6-20-36-51;1-3-17-40(18-4-1)62-48-25-13-26-49-58(48)61-59-50(62)27-14-28-53(59)65-55-35-39(33-51(60(55)61)63(49)41-19-5-2-6-20-41)57-44-23-11-9-21-42(44)56(43-22-10-12-24-45(43)57)38-29-30-52-46(32-38)47-31-36-15-7-8-16-37(36)34-54(47)64-52;1-5-18-34(19-6-1)56-40-28-15-13-26-38(40)48-44(56)32-46-51-53(48)60-54-49-39-27-14-16-29-41(39)57(35-20-7-2-8-21-35)45(49)33-47-52(54)55(51)50-42(58(46)36-22-9-3-10-23-36)30-17-31-43(50)59(47)37-24-11-4-12-25-37;1-28-22-35-42-39(23-28)49-40-27-34(48-32-20-12-5-13-21-32)26-38-43(40)44(42)41-36(45(35)29-14-6-2-7-15-29)24-33(47-31-18-10-4-11-19-31)25-37(41)46(38)30-16-8-3-9-17-30;1-3-12-24(13-4-1)44-30-18-11-19-31-36(30)43-37-32(44)22-28-26-16-7-9-20-34(26)46-39(28)41(37)48-42-38(43)33(45(31)25-14-5-2-6-15-25)23-29-27-17-8-10-21-35(27)47-40(29)42;1-3-13-26(14-4-1)44-33-21-11-22-34-39(33)43-40-35(44)23-12-24-37(40)46-42-38-31-20-10-9-18-29(31)28-17-7-8-19-30(28)32(38)25-36(41(42)43)45(34)27-15-5-2-6-16-27;1-2-11-26(12-3-1)44-34-17-8-18-35-40(34)43-41-36(44)19-9-21-38(41)46-39-22-10-20-37(42(39)43)45(35)27-23-24-32-30-15-5-4-13-28(30)29-14-6-7-16-31(29)33(32)25-27;1-3-10-28(11-4-1)30-20-24-32(25-21-30)44-34-14-7-15-35-40(34)43-41-36(44)16-8-18-38(41)46-39-19-9-17-37(42(39)43)45(35)33-26-22-31(23-27-33)29-12-5-2-6-13-29;1-3-12-26(13-4-1)42-30-16-8-17-31-36(30)41-37-32(42)18-9-19-33(37)44-40-29-23-21-25-11-7-10-24-20-22-28(35(29)34(24)25)39(38(40)41)43(31)27-14-5-2-6-15-27/h5-45H,1-4H3;1-45H;1-35H;1-33H;2-27H,1H3;1-23H;2*1-25H;1-27H;1-23H
InChIKeyGXNACOZVWOLTJO-UHFFFAOYSA-N
XLogP116.30
TPSA237.80 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds44
Heavy Atoms554
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007074.36
LogP ≤ 5116.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene with MolForge

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What is the IUPAC name of 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene?
The IUPAC name of 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene (CID 158395678) is 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene.
What is the SMILES notation for 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene?
The canonical SMILES for 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4c(c21)Oc1c2c(cc5c1C(C)(C)c1cc(N(c6ccccc6)c6ccccc6)ccc1-5)N(c1ccccc1)c1cccc(c1B42)N3c1ccccc1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc(Oc4ccccc4)cc4c1B3c1c(cc(Oc3ccccc3)cc1N4c1ccccc1)O2.c1ccc(-c2cc(-c3ccccc3)c3c4c2N(c2ccccc2)c2cc(N(c5ccccc5)c5ccccc5)cc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)cc2N3c2ccccc2)O5)cc1.c1ccc(-c2ccc(N3c4cccc5c4B4c6c(cccc6N(c6ccc(-c7ccccc7)cc6)c6cccc3c64)O5)cc2)cc1.c1ccc(N2c3cccc4c3B3c5c(cc(-c6c7ccccc7c(-c7ccc8oc9cc%10ccccc%10cc9c8c7)c7ccccc67)cc5N(c5ccccc5)c5cccc2c53)O4)cc1.c1ccc(N2c3cccc4c3B3c5c(cccc5N(c5ccc6c7ccccc7c7ccccc7c6c5)c5cccc2c53)O4)cc1.c1ccc(N2c3cccc4c3B3c5c2cc2c(c5Oc5c3c(cc3c5c5ccccc5n3-c3ccccc3)N4c3ccccc3)c3ccccc3n2-c2ccccc2)cc1.c1ccc(N2c3cccc4c3B3c5c2cc2c(oc6ccccc62)c5Oc2c3c(cc3c2oc2ccccc23)N4c2ccccc2)cc1.c1ccc(N2c3cccc4c3B3c5c2cccc5N(c2ccccc2)c2c3c(c3ccc5cccc6ccc2c3c56)O4)cc1.c1ccc(N2c3cccc4c3B3c5c2cccc5N(c2ccccc2)c2cc5c6ccccc6c6ccccc6c5c(c23)O4)cc1.
What is the InChIKey of 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene?
The InChIKey is GXNACOZVWOLTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H53BN4O.C66H45BN4O.C60H35BN2O2.C54H33BN4O.C43H29BN2O3.C42H23BN2O3.2C42H25BN2O.C42H27BN2O.C40H23BN2O/c1-71(2)58-42-52(74(46-24-11-5-12-25-46)47-26-13-6-14-27-47)38-40-54(58)56-44-62-67-69(64(56)71)78-70-65-57(55-41-39-53(43-59(55)72(65,3)4)75(48-28-15-7-16-29-48)49-30-17-8-18-31-49)45-63-68(70)73(67)66-60(76(62)50-32-19-9-20-33-50)36-23-37-61(66)77(63)51-34-21-10-22-35-51;1-9-25-46(26-10-1)56-45-57(47-27-11-2-12-28-47)66-64-65(56)70(52-37-21-7-22-38-52)58-41-54(68(48-29-13-3-14-30-48)49-31-15-4-16-32-49)43-60-62(58)67(64)63-59(71(66)53-39-23-8-24-40-53)42-55(44-61(63)72-60)69(50-33-17-5-18-34-50)51-35-19-6-20-36-51;1-3-17-40(18-4-1)62-48-25-13-26-49-58(48)61-59-50(62)27-14-28-53(59)65-55-35-39(33-51(60(55)61)63(49)41-19-5-2-6-20-41)57-44-23-11-9-21-42(44)56(43-22-10-12-24-45(43)57)38-29-30-52-46(32-38)47-31-36-15-7-8-16-37(36)34-54(47)64-52;1-5-18-34(19-6-1)56-40-28-15-13-26-38(40)48-44(56)32-46-51-53(48)60-54-49-39-27-14-16-29-41(39)57(35-20-7-2-8-21-35)45(49)33-47-52(54)55(51)50-42(58(46)36-22-9-3-10-23-36)30-17-31-43(50)59(47)37-24-11-4-12-25-37;1-28-22-35-42-39(23-28)49-40-27-34(48-32-20-12-5-13-21-32)26-38-43(40)44(42)41-36(45(35)29-14-6-2-7-15-29)24-33(47-31-18-10-4-11-19-31)25-37(41)46(38)30-16-8-3-9-17-30;1-3-12-24(13-4-1)44-30-18-11-19-31-36(30)43-37-32(44)22-28-26-16-7-9-20-34(26)46-39(28)41(37)48-42-38(43)33(45(31)25-14-5-2-6-15-25)23-29-27-17-8-10-21-35(27)47-40(29)42;1-3-13-26(14-4-1)44-33-21-11-22-34-39(33)43-40-35(44)23-12-24-37(40)46-42-38-31-20-10-9-18-29(31)28-17-7-8-19-30(28)32(38)25-36(41(42)43)45(34)27-15-5-2-6-16-27;1-2-11-26(12-3-1)44-34-17-8-18-35-40(34)43-41-36(44)19-9-21-38(41)46-39-22-10-20-37(42(39)43)45(35)27-23-24-32-30-15-5-4-13-28(30)29-14-6-7-16-31(29)33(32)25-27;1-3-10-28(11-4-1)30-20-24-32(25-21-30)44-34-14-7-15-35-40(34)43-41-36(44)16-8-18-38(41)46-39-19-9-17-37(42(39)43)45(35)33-26-22-31(23-27-33)29-12-5-2-6-13-29;1-3-12-26(13-4-1)42-30-16-8-17-31-36(30)41-37-32(42)18-9-19-33(37)44-40-29-23-21-25-11-7-10-24-20-22-28(35(29)34(24)25)39(38(40)41)43(31)27-14-5-2-6-15-27/h5-45H,1-4H3;1-45H;1-35H;1-33H;2-27H,1H3;1-23H;2*1-25H;1-27H;1-23H.
What are the key properties of 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene?
14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene has a molecular weight of 7074.36 g/mol, XLogP of 116.30, 44 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 14,22-bis(4-phenylphenyl)-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;11,32-diphenyl-17-oxa-11,32-diaza-4-boranonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene;18,34-diphenyl-32-oxa-18,34-diaza-25-boranonacyclo[15.15.1.123,27.02,15.03,8.09,14.019,24.025,33.026,31]tetratriaconta-1,3,5,7,9,11,13,15,17(33),19,21,23,26,28,30-pentadecaene;15,21-diphenyl-5,31,36-trioxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene;5-methyl-11,17-diphenoxy-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-14,22-diphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-N,5-N,11-N,11-N,14,16,18,22-octakis-phenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine;14-phenyl-22-triphenylen-2-yl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5,5,31,31-tetramethyl-8-N,8-N,28-N,28-N,15,21-hexakis-phenyl-36-oxa-15,21-diaza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16(35),17,19,22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine;11,15,21,25-tetraphenyl-36-oxa-11,15,21,25-tetraza-1-boradecacyclo[18.14.1.13,33.02,14.04,12.05,10.016,35.022,34.024,32.026,31]hexatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23,26,28,30,32-pentadecaene is sourced from PubChem (CID 158395678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).