N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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

C471H416B6N18OS6 — CID 167670533

About N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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

N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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 (PubChem CID 167670533) has the molecular formula C471H416B6N18OS6 and a molecular weight of 6606.94 g/mol. Its IUPAC name is N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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.

Molecular Properties

• Compound Name: N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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
• PubChem CID: 167670533
• Molecular Formula: C471H416B6N18OS6
• Molecular Weight: 6606.94 g/mol
• Exact Mass: 6602.23
• IUPAC Name: N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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
• SMILES: CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2cc(-c4ccccc4)cc4c2B3c2sc3ccc(-c5ccccc5)cc3c2N4c2ccc(C(C)(C)C)cc2)c2ccccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2cc(-c4ccccc4)cc4c2B3c2sc3ccc(C(C)(C)C)cc3c2N4c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2cc(C(C)(C)C)cc4c2B3c2sc3ccc(-c5ccccc5)cc3c2N4c2ccc(C(C)(C)C)cc2)c2ccccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2cccc4c2B3c2sc3ccc(-c5ccccc5)cc3c2N4c2ccc(C(C)(C)C)cc2)c2ccccc2-c2ccccc2)cc1.CC(C)c1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(sc4ccc(-c5ccccc5)cc14)B3c1ccc(N(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccccc3)cc1N2c1ccc(C(C)(C)C)cc1-c1ccccc1.[2H]c1c([2H])c([2H])c(-c2cc3c4c(c2)N(c2cccc5c2oc2ccccc25)c2c(sc5ccc(-c6ccccc6)cc25)B4c2ccc(N(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc4)cc2N3c2ccc(C(C)(C)C)cc2-c2ccccc2)c([2H])c1[2H]
• InChI: InChI=1S/C82H64BN3OS.2C80H70BN3S.C78H74BN3S.C77H72BN3S.C74H66BN3S/c1-81(2,3)59-39-42-61(43-40-59)84(69-35-21-19-32-63(69)55-28-15-9-16-29-55)62-44-45-68-72(52-62)85(70-46-41-60(82(4,5)6)51-66(70)56-30-17-10-18-31-56)73-49-58(54-26-13-8-14-27-54)50-74-77(73)83(68)80-78(67-48-57(38-47-76(67)88-80)53-24-11-7-12-25-53)86(74)71-36-23-34-65-64-33-20-22-37-75(64)87-79(65)71;1-78(2,3)59-35-40-62(41-36-59)82(69-33-23-22-32-65(69)55-28-18-12-19-29-55)64-44-45-68-71(52-64)84(70-46-39-61(80(7,8)9)51-66(70)56-30-20-13-21-31-56)73-50-58(54-26-16-11-17-27-54)49-72-75(73)81(68)77-76(83(72)63-42-37-60(38-43-63)79(4,5)6)67-48-57(34-47-74(67)85-77)53-24-14-10-15-25-53;1-78(2,3)59-36-42-62(43-37-59)82(69-33-23-22-32-65(69)56-28-18-12-19-29-56)64-44-45-68-71(52-64)84(70-46-38-60(79(4,5)6)50-66(70)57-30-20-13-21-31-57)73-49-58(54-26-16-11-17-27-54)48-72-75(73)81(68)77-76(67-51-61(80(7,8)9)39-47-74(67)85-77)83(72)63-40-34-55(35-41-63)53-24-14-10-15-25-53;1-75(2,3)55-33-38-59(39-34-55)80(66-31-23-22-30-62(66)52-26-18-14-19-27-52)61-42-43-65-68(50-61)82(67-44-37-57(77(7,8)9)47-63(67)53-28-20-15-21-29-53)70-49-58(78(10,11)12)48-69-72(70)79(65)74-73(81(69)60-40-35-56(36-41-60)76(4,5)6)64-46-54(32-45-71(64)83-74)51-24-16-13-17-25-51;1-50(2)55-46-69-72-70(47-55)81(67-43-36-58(77(9,10)11)48-63(67)53-27-19-14-20-28-53)68-49-61(79(59-37-32-56(33-38-59)75(3,4)5)66-30-22-21-29-62(66)52-25-17-13-18-26-52)41-42-65(68)78(72)74-73(80(69)60-39-34-57(35-40-60)76(6,7)8)64-45-54(31-44-71(64)82-74)51-23-15-12-16-24-51;1-72(2,3)53-33-38-56(39-34-53)76(63-29-20-19-28-59(63)50-24-15-11-16-25-50)58-42-43-62-67(48-58)78(64-44-37-55(74(7,8)9)47-60(64)51-26-17-12-18-27-51)66-31-21-30-65-69(66)75(62)71-70(77(65)57-40-35-54(36-41-57)73(4,5)6)61-46-52(32-45-68(61)79-71)49-22-13-10-14-23-49/h7-52H,1-6H3;2*10-52H,1-9H3;13-50H,1-12H3;12-50H,1-11H3;10-48H,1-9H3/i8D,13D,14D,26D,27D
• InChIKey: UASGREMHFNEUEQ-NJFIXEROSA-N
• XLogP: 124.11
• TPSA: 71.46 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 52
• Heavy Atoms: 502
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6606.94
LogP ≤ 5	124.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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?

The IUPAC name of N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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 (CID 167670533) is N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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.

What is the SMILES notation for N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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?

The canonical SMILES for N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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 is CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2cc(-c4ccccc4)cc4c2B3c2sc3ccc(-c5ccccc5)cc3c2N4c2ccc(C(C)(C)C)cc2)c2ccccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2cc(-c4ccccc4)cc4c2B3c2sc3ccc(C(C)(C)C)cc3c2N4c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2cc(C(C)(C)C)cc4c2B3c2sc3ccc(-c5ccccc5)cc3c2N4c2ccc(C(C)(C)C)cc2)c2ccccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2cccc4c2B3c2sc3ccc(-c5ccccc5)cc3c2N4c2ccc(C(C)(C)C)cc2)c2ccccc2-c2ccccc2)cc1.CC(C)c1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(sc4ccc(-c5ccccc5)cc14)B3c1ccc(N(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccccc3)cc1N2c1ccc(C(C)(C)C)cc1-c1ccccc1.[2H]c1c([2H])c([2H])c(-c2cc3c4c(c2)N(c2cccc5c2oc2ccccc25)c2c(sc5ccc(-c6ccccc6)cc25)B4c2ccc(N(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc4)cc2N3c2ccc(C(C)(C)C)cc2-c2ccccc2)c([2H])c1[2H].

What is the InChIKey of N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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?

The InChIKey is UASGREMHFNEUEQ-NJFIXEROSA-N. The full InChI is InChI=1S/C82H64BN3OS.2C80H70BN3S.C78H74BN3S.C77H72BN3S.C74H66BN3S/c1-81(2,3)59-39-42-61(43-40-59)84(69-35-21-19-32-63(69)55-28-15-9-16-29-55)62-44-45-68-72(52-62)85(70-46-41-60(82(4,5)6)51-66(70)56-30-17-10-18-31-56)73-49-58(54-26-13-8-14-27-54)50-74-77(73)83(68)80-78(67-48-57(38-47-76(67)88-80)53-24-11-7-12-25-53)86(74)71-36-23-34-65-64-33-20-22-37-75(64)87-79(65)71;1-78(2,3)59-35-40-62(41-36-59)82(69-33-23-22-32-65(69)55-28-18-12-19-29-55)64-44-45-68-71(52-64)84(70-46-39-61(80(7,8)9)51-66(70)56-30-20-13-21-31-56)73-50-58(54-26-16-11-17-27-54)49-72-75(73)81(68)77-76(83(72)63-42-37-60(38-43-63)79(4,5)6)67-48-57(34-47-74(67)85-77)53-24-14-10-15-25-53;1-78(2,3)59-36-42-62(43-37-59)82(69-33-23-22-32-65(69)56-28-18-12-19-29-56)64-44-45-68-71(52-64)84(70-46-38-60(79(4,5)6)50-66(70)57-30-20-13-21-31-57)73-49-58(54-26-16-11-17-27-54)48-72-75(73)81(68)77-76(67-51-61(80(7,8)9)39-47-74(67)85-77)83(72)63-40-34-55(35-41-63)53-24-14-10-15-25-53;1-75(2,3)55-33-38-59(39-34-55)80(66-31-23-22-30-62(66)52-26-18-14-19-27-52)61-42-43-65-68(50-61)82(67-44-37-57(77(7,8)9)47-63(67)53-28-20-15-21-29-53)70-49-58(78(10,11)12)48-69-72(70)79(65)74-73(81(69)60-40-35-56(36-41-60)76(4,5)6)64-46-54(32-45-71(64)83-74)51-24-16-13-17-25-51;1-50(2)55-46-69-72-70(47-55)81(67-43-36-58(77(9,10)11)48-63(67)53-27-19-14-20-28-53)68-49-61(79(59-37-32-56(33-38-59)75(3,4)5)66-30-22-21-29-62(66)52-25-17-13-18-26-52)41-42-65(68)78(72)74-73(80(69)60-39-34-57(35-40-60)76(6,7)8)64-45-54(31-44-71(64)82-74)51-23-15-12-16-24-51;1-72(2,3)53-33-38-56(39-34-53)76(63-29-20-19-28-59(63)50-24-15-11-16-25-50)58-42-43-62-67(48-58)78(64-44-37-55(74(7,8)9)47-60(64)51-26-17-12-18-27-51)66-31-21-30-65-69(66)75(62)71-70(77(65)57-40-35-54(36-41-57)73(4,5)6)61-46-52(32-45-68(61)79-71)49-22-13-10-14-23-49/h7-52H,1-6H3;2*10-52H,1-9H3;13-50H,1-12H3;12-50H,1-11H3;10-48H,1-9H3/i8D,13D,14D,26D,27D;;;;;.

What are the key properties of N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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?

N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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 has a molecular weight of 6606.94 g/mol, XLogP of 124.11, 52 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11,18-diphenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-11-propan-2-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;11-tert-butyl-N,14-bis(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;18-tert-butyl-N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-phenyl-N-(2-phenylphenyl)-14-(4-phenylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine;N-(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-14-dibenzofuran-4-yl-11-(2,3,4,5,6-pentadeuteriophenyl)-18-phenyl-N-(2-phenylphenyl)-22-thia-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 is sourced from PubChem (CID 167670533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).