15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine

C382H298B8N14O5S4 — CID 164970321

About 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine

15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 164970321) has the molecular formula C382H298B8N14O5S4 and a molecular weight of 5379.44 g/mol. Its IUPAC name is 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

• Compound Name: 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine
• PubChem CID: 164970321
• Molecular Formula: C382H298B8N14O5S4
• Molecular Weight: 5379.44 g/mol
• Exact Mass: 5376.31
• IUPAC Name: 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine
• SMILES: CC(C)(C)c1cc2c3c(c1)N(c1ccccc1-c1cccc4c1oc1ccccc14)c1cc4c(cc1B3c1ccccc1O2)B1c2ccccc2N(c2ccccc2)c2cccc(c21)N4c1ccccc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccccc4-c4cccc5c4sc4ccccc45)c4c(-c5ccccc5)cc(-c5ccccc5)c2c43)cc1.CC(C)c1ccc2c(c1)B1c3cc(C(C)(C)C)ccc3N(c3ccccc3-c3cccc4c3oc3c(-c5ccccc5)cccc34)c3cc(C(C)(C)C)cc(c31)S2.Cc1cc2c3c(c1)N(c1ccccc1-c1cccc4c1sc1c(-c5ccccc5)cccc14)c1ccc(C(C)(C)C)cc1B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c3)N(c3ccccc3-c3cccc6c3oc3c(-c7ccccc7)cccc36)c3cc(-c6ccccc6)ccc3B5c3ccccc3S4)cc2)cc1.c1ccc(N2c3ccccc3B3c4cc5c(cc4N(c4ccccc4)c4cccc2c43)N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3c2B5c2ccccc2N3c2ccccc2)cc1
• InChI: InChI=1S/C72H47BN2OS.C66H42B2N4O.C66H59BN2S.C64H45B2N3O2.C61H57BN2S.C53H48BNOS/c1-5-19-48(20-6-1)51-35-40-55(41-36-51)74(56-42-37-52(38-43-56)49-21-7-2-8-22-49)57-46-67-70-69(47-57)77-68-34-16-14-32-64(68)73(70)63-44-39-54(50-23-9-3-10-24-50)45-66(63)75(67)65-33-15-13-27-59(65)60-29-18-31-62-61-30-17-28-58(71(61)76-72(60)62)53-25-11-4-12-26-53;1-4-21-43(22-5-1)69-55-34-15-12-31-50(55)67-52-41-53-62(42-61(52)71(45-25-8-3-9-26-45)59-38-19-36-57(69)64(59)67)72(54-33-14-10-27-46(54)48-29-18-30-49-47-28-11-17-40-63(47)73-66(48)49)60-39-20-37-58-65(60)68(53)51-32-13-16-35-56(51)70(58)44-23-6-2-7-24-44;1-64(2,3)44-31-35-47(36-32-44)68-57-37-33-45(65(4,5)6)39-54(57)67-55-40-46(66(7,8)9)34-38-58(55)69(56-29-18-16-25-48(56)50-27-20-28-51-49-26-17-19-30-59(49)70-63(50)51)62-53(43-23-14-11-15-24-43)41-52(61(68)60(62)67)42-21-12-10-13-22-42;1-64(2,3)40-36-57-62-60(37-40)70-59-35-17-13-29-48(59)66(62)50-38-49-55(39-56(50)69(57)51-30-14-10-24-43(51)45-26-18-27-46-44-25-11-16-34-58(44)71-63(45)46)68(42-22-8-5-9-23-42)54-33-19-32-53-61(54)65(49)47-28-12-15-31-52(47)67(53)41-20-6-4-7-21-41;1-38-34-54-56-55(35-38)64(51-25-15-14-20-45(51)46-22-17-24-48-47-23-16-21-44(57(47)65-58(46)48)39-18-12-11-13-19-39)53-33-29-42(61(8,9)10)37-50(53)62(56)49-36-41(60(5,6)7)28-32-52(49)63(54)43-30-26-40(27-31-43)59(2,3)4;1-32(2)34-24-27-47-43(28-34)54-42-29-35(52(3,4)5)25-26-45(42)55(46-30-36(53(6,7)8)31-48(57-47)49(46)54)44-23-13-12-18-38(44)39-20-15-22-41-40-21-14-19-37(50(40)56-51(39)41)33-16-10-9-11-17-33/h1-47H;1-42H;10-41H,1-9H3;4-39H,1-3H3;11-37H,1-10H3;9-32H,1-8H3
• InChIKey: DANNSIZYLAYIOV-UHFFFAOYSA-N
• XLogP: 90.72
• TPSA: 107.15 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 413
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5379.44
LogP ≤ 5	90.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine?

The IUPAC name of 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 164970321) is 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine.

What is the SMILES notation for 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine?

The canonical SMILES for 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine is CC(C)(C)c1cc2c3c(c1)N(c1ccccc1-c1cccc4c1oc1ccccc14)c1cc4c(cc1B3c1ccccc1O2)B1c2ccccc2N(c2ccccc2)c2cccc(c21)N4c1ccccc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccccc4-c4cccc5c4sc4ccccc45)c4c(-c5ccccc5)cc(-c5ccccc5)c2c43)cc1.CC(C)c1ccc2c(c1)B1c3cc(C(C)(C)C)ccc3N(c3ccccc3-c3cccc4c3oc3c(-c5ccccc5)cccc34)c3cc(C(C)(C)C)cc(c31)S2.Cc1cc2c3c(c1)N(c1ccccc1-c1cccc4c1sc1c(-c5ccccc5)cccc14)c1ccc(C(C)(C)C)cc1B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c3)N(c3ccccc3-c3cccc6c3oc3c(-c7ccccc7)cccc36)c3cc(-c6ccccc6)ccc3B5c3ccccc3S4)cc2)cc1.c1ccc(N2c3ccccc3B3c4cc5c(cc4N(c4ccccc4)c4cccc2c43)N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3c2B5c2ccccc2N3c2ccccc2)cc1.

What is the InChIKey of 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine?

The InChIKey is DANNSIZYLAYIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47BN2OS.C66H42B2N4O.C66H59BN2S.C64H45B2N3O2.C61H57BN2S.C53H48BNOS/c1-5-19-48(20-6-1)51-35-40-55(41-36-51)74(56-42-37-52(38-43-56)49-21-7-2-8-22-49)57-46-67-70-69(47-57)77-68-34-16-14-32-64(68)73(70)63-44-39-54(50-23-9-3-10-24-50)45-66(63)75(67)65-33-15-13-27-59(65)60-29-18-31-62-61-30-17-28-58(71(61)76-72(60)62)53-25-11-4-12-26-53;1-4-21-43(22-5-1)69-55-34-15-12-31-50(55)67-52-41-53-62(42-61(52)71(45-25-8-3-9-26-45)59-38-19-36-57(69)64(59)67)72(54-33-14-10-27-46(54)48-29-18-30-49-47-28-11-17-40-63(47)73-66(48)49)60-39-20-37-58-65(60)68(53)51-32-13-16-35-56(51)70(58)44-23-6-2-7-24-44;1-64(2,3)44-31-35-47(36-32-44)68-57-37-33-45(65(4,5)6)39-54(57)67-55-40-46(66(7,8)9)34-38-58(55)69(56-29-18-16-25-48(56)50-27-20-28-51-49-26-17-19-30-59(49)70-63(50)51)62-53(43-23-14-11-15-24-43)41-52(61(68)60(62)67)42-21-12-10-13-22-42;1-64(2,3)40-36-57-62-60(37-40)70-59-35-17-13-29-48(59)66(62)50-38-49-55(39-56(50)69(57)51-30-14-10-24-43(51)45-26-18-27-46-44-25-11-16-34-58(44)71-63(45)46)68(42-22-8-5-9-23-42)54-33-19-32-53-61(54)65(49)47-28-12-15-31-52(47)67(53)41-20-6-4-7-21-41;1-38-34-54-56-55(35-38)64(51-25-15-14-20-45(51)46-22-17-24-48-47-23-16-21-44(57(47)65-58(46)48)39-18-12-11-13-19-39)53-33-29-42(61(8,9)10)37-50(53)62(56)49-36-41(60(5,6)7)28-32-52(49)63(54)43-30-26-40(27-31-43)59(2,3)4;1-32(2)34-24-27-47-43(28-34)54-42-29-35(52(3,4)5)25-26-45(42)55(46-30-36(53(6,7)8)31-48(57-47)49(46)54)44-23-13-12-18-38(44)39-20-15-22-41-40-21-14-19-37(50(40)56-51(39)41)33-16-10-9-11-17-33/h1-47H;1-42H;10-41H,1-9H3;4-39H,1-3H3;11-37H,1-10H3;9-32H,1-8H3.

What are the key properties of 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine?

15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 5379.44 g/mol, XLogP of 90.72, 31 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 15-tert-butyl-18-(2-dibenzofuran-4-ylphenyl)-22,28-diphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene;18-(2-dibenzofuran-4-ylphenyl)-12,22,28-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(2-dibenzothiophen-4-ylphenyl)-10,12-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-11-methyl-14-[2-(6-phenyldibenzothiophen-4-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;11,18-ditert-butyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-4-propan-2-yl-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-phenyl-14-[2-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis(4-phenylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 164970321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).