9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene

C256H137B5N10O4S4 — CID 160738740

IUPAC9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)c1cccc2c1n3-c1cccc3c1B2c1cccc2c4c5c(ccc4n-3c12)-c1c(ccc2ccccc12)C5(C)C.c1cc2c3c(c1)-n1c4ccc5c(oc6ccc7ccccc7c65)c4c4cccc(c41)B3c1cccc3c4c5oc6ccc7ccccc7c6c5ccc4n-2c13.c1cc2c3c(c1)-n1c4ccc5c(sc6ccc7ccccc7c65)c4c4cccc(c41)B3c1cccc3c4c5sc6ccc7ccccc7c6c5ccc4n-2c13.c1cc2c3c(c1)-n1c4ccc5c6ccccc6oc5c4c4c5ccccc5cc(c41)B3c1cc3ccccc3c3c4c5oc6ccccc6c5ccc4n-2c13.c1cc2c3c(c1)-n1c4ccc5c6ccccc6sc5c4c4c5ccccc5cc(c41)B3c1cc3ccccc3c3c4c5sc6ccccc6c5ccc4n-2c13
InChIInChI=1S/C56H37BN2.2C50H25BN2O2.2C50H25BN2S2/c1-55(2)38-26-22-30-12-5-7-14-32(30)46(38)34-24-28-42-48(50(34)55)36-16-9-18-40-53(36)58(42)44-20-11-21-45-52(44)57(40)41-19-10-17-37-49-43(59(45)54(37)41)29-25-35-47-33-15-8-6-13-31(33)23-27-39(47)56(3,4)51(35)49;1-3-10-28-26(8-1)18-24-40-42(28)32-20-22-36-44(49(32)54-40)30-12-5-14-34-47(30)52(36)38-16-7-17-39-46(38)51(34)35-15-6-13-31-45-37(53(39)48(31)35)23-21-33-43-29-11-4-2-9-27(29)19-25-41(43)55-50(33)45;1-3-12-28-26(10-1)24-34-47-42(28)44-36(22-20-32-30-14-5-7-18-40(30)54-49(32)44)52(47)38-16-9-17-39-46(38)51(34)35-25-27-11-2-4-13-29(27)43-45-37(53(39)48(35)43)23-21-33-31-15-6-8-19-41(31)55-50(33)45;1-3-10-28-26(8-1)18-24-40-42(28)32-20-22-36-44(49(32)54-40)30-12-5-14-34-47(30)52(36)38-16-7-17-39-46(38)51(34)35-15-6-13-31-45-37(53(39)48(31)35)23-21-33-43-29-11-4-2-9-27(29)19-25-41(43)55-50(33)45;1-3-12-28-26(10-1)24-34-47-42(28)44-36(22-20-32-30-14-5-7-18-40(30)54-49(32)44)52(47)38-16-9-17-39-46(38)51(34)35-25-27-11-2-4-13-29(27)43-45-37(53(39)48(35)43)23-21-33-31-15-6-8-19-41(31)55-50(33)45/h5-29H,1-4H3;4*1-25H
InChIKeyRVHFPYXRFYFVCD-UHFFFAOYSA-N
MW3599.31 g/mol
LogP58.33
Rot. Bonds

About 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene

9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene (PubChem CID 160738740) has the molecular formula C256H137B5N10O4S4 and a molecular weight of 3599.31 g/mol. Its IUPAC name is 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene.

Molecular Properties

Compound Name9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene
PubChem CID160738740
Molecular FormulaC256H137B5N10O4S4
Molecular Weight3599.31 g/mol
Exact Mass3597.02
IUPAC Name9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)c1cccc2c1n3-c1cccc3c1B2c1cccc2c4c5c(ccc4n-3c12)-c1c(ccc2ccccc12)C5(C)C.c1cc2c3c(c1)-n1c4ccc5c(oc6ccc7ccccc7c65)c4c4cccc(c41)B3c1cccc3c4c5oc6ccc7ccccc7c6c5ccc4n-2c13.c1cc2c3c(c1)-n1c4ccc5c(sc6ccc7ccccc7c65)c4c4cccc(c41)B3c1cccc3c4c5sc6ccc7ccccc7c6c5ccc4n-2c13.c1cc2c3c(c1)-n1c4ccc5c6ccccc6oc5c4c4c5ccccc5cc(c41)B3c1cc3ccccc3c3c4c5oc6ccccc6c5ccc4n-2c13.c1cc2c3c(c1)-n1c4ccc5c6ccccc6sc5c4c4c5ccccc5cc(c41)B3c1cc3ccccc3c3c4c5sc6ccccc6c5ccc4n-2c13
InChIInChI=1S/C56H37BN2.2C50H25BN2O2.2C50H25BN2S2/c1-55(2)38-26-22-30-12-5-7-14-32(30)46(38)34-24-28-42-48(50(34)55)36-16-9-18-40-53(36)58(42)44-20-11-21-45-52(44)57(40)41-19-10-17-37-49-43(59(45)54(37)41)29-25-35-47-33-15-8-6-13-31(33)23-27-39(47)56(3,4)51(35)49;1-3-10-28-26(8-1)18-24-40-42(28)32-20-22-36-44(49(32)54-40)30-12-5-14-34-47(30)52(36)38-16-7-17-39-46(38)51(34)35-15-6-13-31-45-37(53(39)48(31)35)23-21-33-43-29-11-4-2-9-27(29)19-25-41(43)55-50(33)45;1-3-12-28-26(10-1)24-34-47-42(28)44-36(22-20-32-30-14-5-7-18-40(30)54-49(32)44)52(47)38-16-9-17-39-46(38)51(34)35-25-27-11-2-4-13-29(27)43-45-37(53(39)48(35)43)23-21-33-31-15-6-8-19-41(31)55-50(33)45;1-3-10-28-26(8-1)18-24-40-42(28)32-20-22-36-44(49(32)54-40)30-12-5-14-34-47(30)52(36)38-16-7-17-39-46(38)51(34)35-15-6-13-31-45-37(53(39)48(31)35)23-21-33-43-29-11-4-2-9-27(29)19-25-41(43)55-50(33)45;1-3-12-28-26(10-1)24-34-47-42(28)44-36(22-20-32-30-14-5-7-18-40(30)54-49(32)44)52(47)38-16-9-17-39-46(38)51(34)35-25-27-11-2-4-13-29(27)43-45-37(53(39)48(35)43)23-21-33-31-15-6-8-19-41(31)55-50(33)45/h5-29H,1-4H3;4*1-25H
InChIKeyRVHFPYXRFYFVCD-UHFFFAOYSA-N
XLogP58.33
TPSA101.86 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003599.31
LogP ≤ 558.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene with MolForge

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Related Compounds

9,37-dioxa-20,26-diaza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.08,16.010,15.021,45.027,39.030,38.031,36.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8(16),10,12,14,17,21(45),22,24,27(39),28,30(38),31,33,35,40,42,44(46)-henicosaene;20,38-dithia-24,34-diaza-1-borahexadecacyclo[31.23.1.12,10.134,48.04,9.011,23.013,21.014,19.025,57.026,31.035,47.037,45.039,44.049,54.024,59.056,58]nonapentaconta-2,4,6,8,10(59),11(23),12,14,16,18,21,25(57),26,28,30,32,35(47),36,39,41,43,45,48(58),49,51,53,55-heptacosaene;9,37-dithia-20,26-diaza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.08,16.010,15.021,45.027,39.030,38.031,36.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8(16),10,12,14,17,21(45),22,24,27(39),28,30(38),31,33,35,40,42,44(46)-henicosaene;13,13,41,41-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,37,37-tetramethyl-20,26-diaza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.08,16.010,15.021,45.027,39.030,38.031,36.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8(16),10,12,14,17,21(45),22,24,27(39),28,30(38),31,33,35,40,42,44(46)-henicosaene
CID 158116104
26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene
CID 174127717
9,30-dioxa-20,26-diaza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.08,16.010,15.021,45.027,39.029,37.031,36.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8(16),10,12,14,17,21(45),22,24,27(39),28,31,33,35,37,40,42,44(46)-henicosaene
CID 153454490
9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122464666
5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 159520742
4-(4-dibenzothiophen-4-ylphenyl)-15,15-dimethyl-18-oxa-4-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118892112
11-dibenzofuran-1-yl-12,12-dimethylindeno[2,1-a]carbazole;11-dibenzofuran-2-yl-12,12-dimethylindeno[2,1-a]carbazole;11-dibenzofuran-4-yl-12,12-dimethylindeno[2,1-a]carbazole;11-dibenzothiophen-1-yl-12,12-dimethylindeno[2,1-a]carbazole;11-dibenzothiophen-3-yl-12,12-dimethylindeno[2,1-a]carbazole;11-dibenzothiophen-4-yl-12,12-dimethylindeno[2,1-a]carbazole;11-(9,9-dimethylfluoren-3-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-1-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 160594005
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 159746614
5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163786052
8-[3-[3-[4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 159310771
3,6-di(dibenzofuran-4-yl)-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098976
5-dibenzofuran-4-yl-10,10-dimethylindeno[1,2-b]indole;5-dibenzofuran-4-yl-12,12-dimethylindeno[1,2-c]carbazole;9-dibenzothiophen-4-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-3-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-3-yl-7,7-dimethylindeno[2,1-b]carbazole;5-dibenzothiophen-4-yl-10,10-dimethylindeno[1,2-b]indole;5-dibenzothiophen-4-yl-12,12-dimethylindeno[1,2-c]carbazole;7,7-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 159748150

Frequently Asked Questions

What is the IUPAC name of 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene?
The IUPAC name of 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene (CID 160738740) is 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene.
What is the SMILES notation for 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene?
The canonical SMILES for 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene is CC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)c1cccc2c1n3-c1cccc3c1B2c1cccc2c4c5c(ccc4n-3c12)-c1c(ccc2ccccc12)C5(C)C.c1cc2c3c(c1)-n1c4ccc5c(oc6ccc7ccccc7c65)c4c4cccc(c41)B3c1cccc3c4c5oc6ccc7ccccc7c6c5ccc4n-2c13.c1cc2c3c(c1)-n1c4ccc5c(sc6ccc7ccccc7c65)c4c4cccc(c41)B3c1cccc3c4c5sc6ccc7ccccc7c6c5ccc4n-2c13.c1cc2c3c(c1)-n1c4ccc5c6ccccc6oc5c4c4c5ccccc5cc(c41)B3c1cc3ccccc3c3c4c5oc6ccccc6c5ccc4n-2c13.c1cc2c3c(c1)-n1c4ccc5c6ccccc6sc5c4c4c5ccccc5cc(c41)B3c1cc3ccccc3c3c4c5sc6ccccc6c5ccc4n-2c13.
What is the InChIKey of 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene?
The InChIKey is RVHFPYXRFYFVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37BN2.2C50H25BN2O2.2C50H25BN2S2/c1-55(2)38-26-22-30-12-5-7-14-32(30)46(38)34-24-28-42-48(50(34)55)36-16-9-18-40-53(36)58(42)44-20-11-21-45-52(44)57(40)41-19-10-17-37-49-43(59(45)54(37)41)29-25-35-47-33-15-8-6-13-31(33)23-27-39(47)56(3,4)51(35)49;1-3-10-28-26(8-1)18-24-40-42(28)32-20-22-36-44(49(32)54-40)30-12-5-14-34-47(30)52(36)38-16-7-17-39-46(38)51(34)35-15-6-13-31-45-37(53(39)48(31)35)23-21-33-43-29-11-4-2-9-27(29)19-25-41(43)55-50(33)45;1-3-12-28-26(10-1)24-34-47-42(28)44-36(22-20-32-30-14-5-7-18-40(30)54-49(32)44)52(47)38-16-9-17-39-46(38)51(34)35-25-27-11-2-4-13-29(27)43-45-37(53(39)48(35)43)23-21-33-31-15-6-8-19-41(31)55-50(33)45;1-3-10-28-26(8-1)18-24-40-42(28)32-20-22-36-44(49(32)54-40)30-12-5-14-34-47(30)52(36)38-16-7-17-39-46(38)51(34)35-15-6-13-31-45-37(53(39)48(31)35)23-21-33-43-29-11-4-2-9-27(29)19-25-41(43)55-50(33)45;1-3-12-28-26(10-1)24-34-47-42(28)44-36(22-20-32-30-14-5-7-18-40(30)54-49(32)44)52(47)38-16-9-17-39-46(38)51(34)35-25-27-11-2-4-13-29(27)43-45-37(53(39)48(35)43)23-21-33-31-15-6-8-19-41(31)55-50(33)45/h5-29H,1-4H3;4*1-25H.
What are the key properties of 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene?
9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene has a molecular weight of 3599.31 g/mol, XLogP of 58.33, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9,45-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dioxa-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,45-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene;13,41-dithia-24,30-diaza-1-borapentadecacyclo[27.23.1.12,10.130,44.04,9.011,23.012,20.014,19.025,53.031,43.034,42.035,40.045,50.024,55.052,54]pentapentaconta-2,4,6,8,10(55),11(23),12(20),14,16,18,21,25(53),26,28,31(43),32,34(42),35,37,39,44(54),45,47,49,51-pentacosaene;9,9,45,45-tetramethyl-24,30-diaza-1-borapentadecacyclo[27.23.1.12,6.130,48.07,23.08,20.010,19.013,18.025,53.031,47.034,46.035,44.036,41.024,55.052,54]pentapentaconta-2(55),3,5,7(23),8(20),10(19),11,13,15,17,21,25(53),26,28,31(47),32,34(46),35(44),36,38,40,42,48,50,52(54)-pentacosaene is sourced from PubChem (CID 160738740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).