11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene

C389H439B6N21O2S3 — CID 163809962

IUPAC11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene
SMILESCC(C)(C)c1ccc(-c2nc3cc4c(cc3o2)B2c3ccc(N(c5ccccc5)c5ccccc5)cc3N(c3ccc(C(C)(C)C)cc3)c3cc(C(C)(C)C)cc(c32)N4c2ccc3oc4ccc(C(C)(C)C)cc4c3c2)cc1.CC(C)(C)c1ccc(-c2nc3cc4c(cc3s2)B2c3cc5c(cc3N(c3ccc6c(c3)C(C)(C)CCC6(C)C)c3cc(C(C)(C)C)cc(c32)N4c2cccc(C(C)(C)C)c2)C(C)(C)CCC5(C)C)cc1.CC(C)(C)c1ccc(-c2nc3cc4c(cc3s2)B2c3ccc(C(C)(C)C)c5c3N(c3cc(C(C)(C)C)cc(c32)N4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2(C)CCCCC52C)cc1.CC(C)(C)c1ccc(-c2nc3cc4c(cc3s2)N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc3c2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4ccc5c(nc(-c6ccccc6)n5-c5ccc(C(C)(C)C)cc5)c4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc2c43)cc1.Cc1cc(C)c(-n2c(-c3ccccc3)nc3c4c(ccc32)B2c3cc(C(C)(C)C)ccc3N(c3ccc(C(C)(C)C)cc3)c3cc(C(C)(C)C)cc(c32)N4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C71H67BN4O2.C67H77BN4.C66H75BN4.C65H76BN3S.C61H72BN3S.C59H72BN3S/c1-68(2,3)45-25-23-44(24-26-45)67-73-58-43-60-57(42-65(58)78-67)72-56-34-32-53(74(49-19-15-13-16-20-49)50-21-17-14-18-22-50)41-59(56)75(51-30-27-46(28-31-51)69(4,5)6)61-38-48(71(10,11)12)39-62(66(61)72)76(60)52-33-36-64-55(40-52)54-37-47(70(7,8)9)29-35-63(54)77-64;1-62(2,3)43-24-29-49(30-25-43)70-54-34-28-45(64(7,8)9)39-53(54)68-52-33-35-55-59(69-61(42-22-20-19-21-23-42)72(55)50-31-26-44(27-32-50)63(4,5)6)60(52)71(57-41-48(67(16,17)18)40-56(70)58(57)68)51-37-46(65(10,11)12)36-47(38-51)66(13,14)15;1-40-32-41(2)59(42(3)33-40)71-54-31-29-51-60(58(54)68-61(71)43-22-20-19-21-23-43)70(50-35-46(64(10,11)12)34-47(36-50)65(13,14)15)56-39-48(66(16,17)18)38-55-57(56)67(51)52-37-45(63(7,8)9)26-30-53(52)69(55)49-27-24-44(25-28-49)62(4,5)6;1-59(2,3)40-23-21-39(22-24-40)58-67-51-38-53-50(37-56(51)70-58)66-49-35-47-48(65(16,17)30-29-64(47,14)15)36-52(49)69(44-25-26-45-46(34-44)63(12,13)28-27-62(45,10)11)55-33-42(61(7,8)9)32-54(57(55)66)68(53)43-20-18-19-41(31-43)60(4,5)6;1-56(2,3)38-21-19-37(20-22-38)55-63-48-35-47-50(36-53(48)66-55)65(45-30-41(59(10,11)12)29-42(31-45)60(13,14)15)52-34-43(61(16,17)18)33-51-54(52)62(47)46-32-40(58(7,8)9)25-28-49(46)64(51)44-26-23-39(24-27-44)57(4,5)6;1-53(2,3)36-22-20-35(21-23-36)52-61-44-34-45-43(33-48(44)64-52)60-42-25-24-41(57(13,14)15)49-51(42)63(59(17)27-19-18-26-58(49,59)16)47-32-39(56(10,11)12)31-46(50(47)60)62(45)40-29-37(54(4,5)6)28-38(30-40)55(7,8)9/h13-43H,1-12H3;19-41H,1-18H3;19-39H,1-18H3;18-26,31-38H,27-30H2,1-17H3;19-36H,1-18H3;20-25,28-34H,18-19,26-27H2,1-17H3
InChIKeyNMJHVLPNUVKWKY-UHFFFAOYSA-N
MW5602.01 g/mol
LogP98.16
Rot. Bonds22

About 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene

11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene (PubChem CID 163809962) has the molecular formula C389H439B6N21O2S3 and a molecular weight of 5602.01 g/mol. Its IUPAC name is 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene.

Molecular Properties

Compound Name11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene
PubChem CID163809962
Molecular FormulaC389H439B6N21O2S3
Molecular Weight5602.01 g/mol
Exact Mass5598.46
IUPAC Name11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene
SMILESCC(C)(C)c1ccc(-c2nc3cc4c(cc3o2)B2c3ccc(N(c5ccccc5)c5ccccc5)cc3N(c3ccc(C(C)(C)C)cc3)c3cc(C(C)(C)C)cc(c32)N4c2ccc3oc4ccc(C(C)(C)C)cc4c3c2)cc1.CC(C)(C)c1ccc(-c2nc3cc4c(cc3s2)B2c3cc5c(cc3N(c3ccc6c(c3)C(C)(C)CCC6(C)C)c3cc(C(C)(C)C)cc(c32)N4c2cccc(C(C)(C)C)c2)C(C)(C)CCC5(C)C)cc1.CC(C)(C)c1ccc(-c2nc3cc4c(cc3s2)B2c3ccc(C(C)(C)C)c5c3N(c3cc(C(C)(C)C)cc(c32)N4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2(C)CCCCC52C)cc1.CC(C)(C)c1ccc(-c2nc3cc4c(cc3s2)N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc3c2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4ccc5c(nc(-c6ccccc6)n5-c5ccc(C(C)(C)C)cc5)c4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc2c43)cc1.Cc1cc(C)c(-n2c(-c3ccccc3)nc3c4c(ccc32)B2c3cc(C(C)(C)C)ccc3N(c3ccc(C(C)(C)C)cc3)c3cc(C(C)(C)C)cc(c32)N4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C71H67BN4O2.C67H77BN4.C66H75BN4.C65H76BN3S.C61H72BN3S.C59H72BN3S/c1-68(2,3)45-25-23-44(24-26-45)67-73-58-43-60-57(42-65(58)78-67)72-56-34-32-53(74(49-19-15-13-16-20-49)50-21-17-14-18-22-50)41-59(56)75(51-30-27-46(28-31-51)69(4,5)6)61-38-48(71(10,11)12)39-62(66(61)72)76(60)52-33-36-64-55(40-52)54-37-47(70(7,8)9)29-35-63(54)77-64;1-62(2,3)43-24-29-49(30-25-43)70-54-34-28-45(64(7,8)9)39-53(54)68-52-33-35-55-59(69-61(42-22-20-19-21-23-42)72(55)50-31-26-44(27-32-50)63(4,5)6)60(52)71(57-41-48(67(16,17)18)40-56(70)58(57)68)51-37-46(65(10,11)12)36-47(38-51)66(13,14)15;1-40-32-41(2)59(42(3)33-40)71-54-31-29-51-60(58(54)68-61(71)43-22-20-19-21-23-43)70(50-35-46(64(10,11)12)34-47(36-50)65(13,14)15)56-39-48(66(16,17)18)38-55-57(56)67(51)52-37-45(63(7,8)9)26-30-53(52)69(55)49-27-24-44(25-28-49)62(4,5)6;1-59(2,3)40-23-21-39(22-24-40)58-67-51-38-53-50(37-56(51)70-58)66-49-35-47-48(65(16,17)30-29-64(47,14)15)36-52(49)69(44-25-26-45-46(34-44)63(12,13)28-27-62(45,10)11)55-33-42(61(7,8)9)32-54(57(55)66)68(53)43-20-18-19-41(31-43)60(4,5)6;1-56(2,3)38-21-19-37(20-22-38)55-63-48-35-47-50(36-53(48)66-55)65(45-30-41(59(10,11)12)29-42(31-45)60(13,14)15)52-34-43(61(16,17)18)33-51-54(52)62(47)46-32-40(58(7,8)9)25-28-49(46)64(51)44-26-23-39(24-27-44)57(4,5)6;1-53(2,3)36-22-20-35(21-23-36)52-61-44-34-45-43(33-48(44)64-52)60-42-25-24-41(57(13,14)15)49-51(42)63(59(17)27-19-18-26-58(49,59)16)47-32-39(56(10,11)12)31-46(50(47)60)62(45)40-29-37(54(4,5)6)28-38(30-40)55(7,8)9/h13-43H,1-12H3;19-41H,1-18H3;19-39H,1-18H3;18-26,31-38H,27-30H2,1-17H3;19-36H,1-18H3;20-25,28-34H,18-19,26-27H2,1-17H3
InChIKeyNMJHVLPNUVKWKY-UHFFFAOYSA-N
XLogP98.16
TPSA155.60 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms421
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005602.01
LogP ≤ 598.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene with MolForge

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Related Compounds

14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-18,23-dimethyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-oxa-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-18,23-dimethyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene
CID 163935763
14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-oxa-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-phenyl-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;14,25-ditert-butyl-6-[4-(4-tert-butylphenyl)phenyl]-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene
CID 163845202
14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene
CID 163839283
14,25-ditert-butyl-6-(4-tert-butylphenyl)-18,23-dimethyl-5-phenyl-11-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7,11,17-tetraza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene
CID 163839284
7-tert-butyl-11-(4-tert-butylphenyl)-14,18,23-trimethyl-3-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,9.012,29.018,23.028,30]triaconta-2(10),4(9),5,7,12(29),13,15,24,26,28(30)-decaene;11,18-ditert-butyl-N,N,8,14-tetraphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaen-5-amine;5,11,18-tritert-butyl-8,14-bis(8-tert-butyldibenzofuran-4-yl)-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene
CID 165075030
11-tert-butyl-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-14-(8-phenyldibenzofuran-2-yl)-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine
CID 163421675
4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene
CID 163456083
21-dibenzofuran-2-yl-3,8,24-trimethyl-N-(3-naphthalen-2-ylphenyl)-N-phenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),9,11,13(27),15(20),16,18,22(26),23-nonaen-18-amine
CID 167344700
14-tert-butyl-11-(4-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-oxa-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene
CID 163528712
N,N-bis(4-tert-butylphenyl)-8-dibenzofuran-2-yl-11,18,18,20,20-pentamethyl-14-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine
CID 167391830
N-(4-tert-butylphenyl)-3,8,24-trimethyl-N-naphthalen-2-yl-21-phenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),9,11,13(27),15(20),16,18,22(26),23-nonaen-18-amine
CID 167344712
27-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaen-6-amine;14-tert-butyl-21,21,24,24,31-pentamethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12(34),13,15,18,20(25),26,29,31-tridecaene;6,27-ditert-butyl-9-dibenzofuran-1-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene;6,27-ditert-butyl-9-dibenzofuran-4-yl-12-methyl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(28),3(8),4,6,10,12,14(30),16(24),18,20,22,25(29),26-tridecaene
CID 164947157

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene?
The IUPAC name of 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene (CID 163809962) is 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene.
What is the SMILES notation for 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene?
The canonical SMILES for 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene is CC(C)(C)c1ccc(-c2nc3cc4c(cc3o2)B2c3ccc(N(c5ccccc5)c5ccccc5)cc3N(c3ccc(C(C)(C)C)cc3)c3cc(C(C)(C)C)cc(c32)N4c2ccc3oc4ccc(C(C)(C)C)cc4c3c2)cc1.CC(C)(C)c1ccc(-c2nc3cc4c(cc3s2)B2c3cc5c(cc3N(c3ccc6c(c3)C(C)(C)CCC6(C)C)c3cc(C(C)(C)C)cc(c32)N4c2cccc(C(C)(C)C)c2)C(C)(C)CCC5(C)C)cc1.CC(C)(C)c1ccc(-c2nc3cc4c(cc3s2)B2c3ccc(C(C)(C)C)c5c3N(c3cc(C(C)(C)C)cc(c32)N4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2(C)CCCCC52C)cc1.CC(C)(C)c1ccc(-c2nc3cc4c(cc3s2)N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc3c2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4ccc5c(nc(-c6ccccc6)n5-c5ccc(C(C)(C)C)cc5)c4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc2c43)cc1.Cc1cc(C)c(-n2c(-c3ccccc3)nc3c4c(ccc32)B2c3cc(C(C)(C)C)ccc3N(c3ccc(C(C)(C)C)cc3)c3cc(C(C)(C)C)cc(c32)N4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C)c1.
What is the InChIKey of 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene?
The InChIKey is NMJHVLPNUVKWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H67BN4O2.C67H77BN4.C66H75BN4.C65H76BN3S.C61H72BN3S.C59H72BN3S/c1-68(2,3)45-25-23-44(24-26-45)67-73-58-43-60-57(42-65(58)78-67)72-56-34-32-53(74(49-19-15-13-16-20-49)50-21-17-14-18-22-50)41-59(56)75(51-30-27-46(28-31-51)69(4,5)6)61-38-48(71(10,11)12)39-62(66(61)72)76(60)52-33-36-64-55(40-52)54-37-47(70(7,8)9)29-35-63(54)77-64;1-62(2,3)43-24-29-49(30-25-43)70-54-34-28-45(64(7,8)9)39-53(54)68-52-33-35-55-59(69-61(42-22-20-19-21-23-42)72(55)50-31-26-44(27-32-50)63(4,5)6)60(52)71(57-41-48(67(16,17)18)40-56(70)58(57)68)51-37-46(65(10,11)12)36-47(38-51)66(13,14)15;1-40-32-41(2)59(42(3)33-40)71-54-31-29-51-60(58(54)68-61(71)43-22-20-19-21-23-43)70(50-35-46(64(10,11)12)34-47(36-50)65(13,14)15)56-39-48(66(16,17)18)38-55-57(56)67(51)52-37-45(63(7,8)9)26-30-53(52)69(55)49-27-24-44(25-28-49)62(4,5)6;1-59(2,3)40-23-21-39(22-24-40)58-67-51-38-53-50(37-56(51)70-58)66-49-35-47-48(65(16,17)30-29-64(47,14)15)36-52(49)69(44-25-26-45-46(34-44)63(12,13)28-27-62(45,10)11)55-33-42(61(7,8)9)32-54(57(55)66)68(53)43-20-18-19-41(31-43)60(4,5)6;1-56(2,3)38-21-19-37(20-22-38)55-63-48-35-47-50(36-53(48)66-55)65(45-30-41(59(10,11)12)29-42(31-45)60(13,14)15)52-34-43(61(16,17)18)33-51-54(52)62(47)46-32-40(58(7,8)9)25-28-49(46)64(51)44-26-23-39(24-27-44)57(4,5)6;1-53(2,3)36-22-20-35(21-23-36)52-61-44-34-45-43(33-48(44)64-52)60-42-25-24-41(57(13,14)15)49-51(42)63(59(17)27-19-18-26-58(49,59)16)47-32-39(56(10,11)12)31-46(50(47)60)62(45)40-29-37(54(4,5)6)28-38(30-40)55(7,8)9/h13-43H,1-12H3;19-41H,1-18H3;19-39H,1-18H3;18-26,31-38H,27-30H2,1-17H3;19-36H,1-18H3;20-25,28-34H,18-19,26-27H2,1-17H3.
What are the key properties of 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene?
11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene has a molecular weight of 5602.01 g/mol, XLogP of 98.16, 22 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-14-(8-tert-butyldibenzofuran-2-yl)-8,19-bis(4-tert-butylphenyl)-N,N-diphenyl-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-5-amine;14-tert-butyl-11-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5-thia-7,11,17-triaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),6,9,12(28),13,15,18,20(25),26-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene;4,11-ditert-butyl-8,19-bis(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),19,22-decaene;14,25-ditert-butyl-6-(4-tert-butylphenyl)-11-(3,5-ditert-butylphenyl)-18,23-dimethyl-5-thia-7,11,17-triaza-1-boraoctacyclo[14.12.1.117,24.02,10.04,8.012,29.018,23.028,30]triaconta-2,4(8),6,9,12(29),13,15,24,26,28(30)-decaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-18-phenyl-19-(2,4,6-trimethylphenyl)-8,14,17,19-tetraza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,20]tetracosa-2(7),3,5,9(24),10,12,15(23),16(20),17,21-decaene is sourced from PubChem (CID 163809962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).