18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine

C299H220B8N16O5S4 — CID 167626458

About 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine

18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine (PubChem CID 167626458) has the molecular formula C299H220B8N16O5S4 and a molecular weight of 4331.92 g/mol. Its IUPAC name is 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine.

Molecular Properties

• Compound Name: 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine
• PubChem CID: 167626458
• Molecular Formula: C299H220B8N16O5S4
• Molecular Weight: 4331.92 g/mol
• Exact Mass: 4329.71
• IUPAC Name: 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine
• SMILES: C1=C2B3c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)cc(c43)N(c3cccc4c3oc3ccccc34)C2=CC2Sc3cc(N(c4ccccc4)c4ccccc4)cc4c3B(c3ccccc3N4c3ccccc3)C12.CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2C3=CC4Sc5cc(N(c6ccccc6)c6ccccc6)cc6c5B(c5ccccc5N6c5ccccc5)C4C=C3B3c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)cc2c43)cc1.Cc1cccc(-c2ccccc2)c1N1C2=CC3Sc4cc(N(c5ccccc5)c5ccccc5)cc5c4B(c4ccccc4N5c4ccccc4)C3C=C2B2c3ccccc3Oc3cc(N(c4ccccc4)c4ccccc4)cc1c32.Cc1cccc(C)c1N1C2=CC3Sc4cc(N(c5ccccc5)c5ccccc5)cc5c4B(c4ccccc4N5c4ccccc4)C3C=C2B2c3ccccc3Oc3cc(N(c4ccccc4)c4ccccc4)cc1c32
• InChI: InChI=1S/C86H70B2N4OS.C73H52B2N4OS.C72H48B2N4O2S.C68H50B2N4OS/c1-85(2,3)59-47-43-57(44-48-59)68-37-26-38-69(58-45-49-60(50-46-58)86(4,5)6)84(68)92-75-56-80-73(55-72(75)88-71-40-23-25-42-78(71)93-79-53-66(51-76(92)82(79)88)89(61-27-12-7-13-28-61)62-29-14-8-15-30-62)87-70-39-22-24-41-74(70)91(65-35-20-11-21-36-65)77-52-67(54-81(94-80)83(77)87)90(63-31-16-9-17-32-63)64-33-18-10-19-34-64;1-49-25-24-38-58(50-26-8-2-9-27-50)73(49)79-64-48-69-62(47-61(64)75-60-40-21-23-42-67(60)80-68-45-56(43-65(79)71(68)75)76(51-28-10-3-11-29-51)52-30-12-4-13-31-52)74-59-39-20-22-41-63(59)78(55-36-18-7-19-37-55)66-44-57(46-70(81-69)72(66)74)77(53-32-14-5-15-33-53)54-34-16-6-17-35-54;1-6-23-47(24-7-1)75(48-25-8-2-9-26-48)52-41-63-70-67(43-52)79-66-40-21-18-36-57(66)74(70)58-45-59-68(46-62(58)78(63)61-38-22-34-55-54-33-16-20-39-65(54)80-72(55)61)81-69-44-53(76(49-27-10-3-11-28-49)50-29-12-4-13-30-50)42-64-71(69)73(59)56-35-17-19-37-60(56)77(64)51-31-14-5-15-32-51;1-45-23-22-24-46(2)68(45)74-59-44-64-57(43-56(59)70-55-36-19-21-38-62(55)75-63-41-52(39-60(74)66(63)70)71(47-25-8-3-9-26-47)48-27-10-4-11-28-48)69-54-35-18-20-37-58(54)73(51-33-16-7-17-34-51)61-40-53(42-65(76-64)67(61)69)72(49-29-12-5-13-30-49)50-31-14-6-15-32-50/h7-56,73,80H,1-6H3;2-48,62,69H,1H3;1-46,59,68H;3-44,57,64H,1-2H3
• InChIKey: NEBINRNHWOUUAJ-UHFFFAOYSA-N
• XLogP: 69.59
• TPSA: 101.90 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 332
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4331.92
LogP ≤ 5	69.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine?

The IUPAC name of 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine (CID 167626458) is 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine.

What is the SMILES notation for 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine?

The canonical SMILES for 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine is C1=C2B3c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)cc(c43)N(c3cccc4c3oc3ccccc34)C2=CC2Sc3cc(N(c4ccccc4)c4ccccc4)cc4c3B(c3ccccc3N4c3ccccc3)C12.CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2C3=CC4Sc5cc(N(c6ccccc6)c6ccccc6)cc6c5B(c5ccccc5N6c5ccccc5)C4C=C3B3c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)cc2c43)cc1.Cc1cccc(-c2ccccc2)c1N1C2=CC3Sc4cc(N(c5ccccc5)c5ccccc5)cc5c4B(c4ccccc4N5c4ccccc4)C3C=C2B2c3ccccc3Oc3cc(N(c4ccccc4)c4ccccc4)cc1c32.Cc1cccc(C)c1N1C2=CC3Sc4cc(N(c5ccccc5)c5ccccc5)cc5c4B(c4ccccc4N5c4ccccc4)C3C=C2B2c3ccccc3Oc3cc(N(c4ccccc4)c4ccccc4)cc1c32.

What is the InChIKey of 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine?

The InChIKey is NEBINRNHWOUUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H70B2N4OS.C73H52B2N4OS.C72H48B2N4O2S.C68H50B2N4OS/c1-85(2,3)59-47-43-57(44-48-59)68-37-26-38-69(58-45-49-60(50-46-58)86(4,5)6)84(68)92-75-56-80-73(55-72(75)88-71-40-23-25-42-78(71)93-79-53-66(51-76(92)82(79)88)89(61-27-12-7-13-28-61)62-29-14-8-15-30-62)87-70-39-22-24-41-74(70)91(65-35-20-11-21-36-65)77-52-67(54-81(94-80)83(77)87)90(63-31-16-9-17-32-63)64-33-18-10-19-34-64;1-49-25-24-38-58(50-26-8-2-9-27-50)73(49)79-64-48-69-62(47-61(64)75-60-40-21-23-42-67(60)80-68-45-56(43-65(79)71(68)75)76(51-28-10-3-11-29-51)52-30-12-4-13-31-52)74-59-39-20-22-41-63(59)78(55-36-18-7-19-37-55)66-44-57(46-70(81-69)72(66)74)77(53-32-14-5-15-33-53)54-34-16-6-17-35-54;1-6-23-47(24-7-1)75(48-25-8-2-9-26-48)52-41-63-70-67(43-52)79-66-40-21-18-36-57(66)74(70)58-45-59-68(46-62(58)78(63)61-38-22-34-55-54-33-16-20-39-65(54)80-72(55)61)81-69-44-53(76(49-27-10-3-11-28-49)50-29-12-4-13-30-50)42-64-71(69)73(59)56-35-17-19-37-60(56)77(64)51-31-14-5-15-32-51;1-45-23-22-24-46(2)68(45)74-59-44-64-57(43-56(59)70-55-36-19-21-38-62(55)75-63-41-52(39-60(74)66(63)70)71(47-25-8-3-9-26-47)48-27-10-4-11-28-48)69-54-35-18-20-37-58(54)73(51-33-16-7-17-34-51)61-40-53(42-65(76-64)67(61)69)72(49-29-12-5-13-30-49)50-31-14-6-15-32-50/h7-56,73,80H,1-6H3;2-48,62,69H,1H3;1-46,59,68H;3-44,57,64H,1-2H3.

What are the key properties of 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine?

18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine has a molecular weight of 4331.92 g/mol, XLogP of 69.59, 35 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-dibenzofuran-4-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2,6-dimethylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-tetradecaene-15,25-diamine is sourced from PubChem (CID 167626458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).