9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene

C336H311B8N9O8 — CID 165048054

About 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene

9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene (PubChem CID 165048054) has the molecular formula C336H311B8N9O8 and a molecular weight of 4689.73 g/mol. Its IUPAC name is 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene.

Molecular Properties

• Compound Name: 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene
• PubChem CID: 165048054
• Molecular Formula: C336H311B8N9O8
• Molecular Weight: 4689.73 g/mol
• Exact Mass: 4687.50
• IUPAC Name: 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene
• SMILES: CC(C)(C)c1ccc(-c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)ccc2B4c2cc4c(cc2O3)Oc2cc(-c3ccc(C(C)(C)C)cc3)cc3c2B4c2ccc(C(C)(C)C)cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4cc5c(c(-c6ccccc6)c4Oc4cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc2c43)Oc2cc(C(C)(C)C)cc3c2B5c2ccc(C(C)(C)C)cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4cc5c(cc4Oc4cc(-c6ccccc6)cc2c43)Oc2cc(-c3ccccc3)cc3c2B5c2ccc(C(C)(C)C)cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4cc5c(cc4Oc4cc(C(C)(C)C)cc2c43)Oc2cc(-c3ccccc3)cc3c2B5c2ccc(C(C)(C)C)cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
• InChI: InChI=1S/C96H93B2N3O2.C86H82B2N2O2.C78H66B2N2O2.C76H70B2N2O2/c1-91(2,3)61-37-43-67(44-38-61)99-79-51-64(94(10,11)12)39-45-73(79)97-76-57-75-89(85(60-33-26-21-27-34-60)90(76)103-84-56-68(55-82(99)87(84)97)100-77-47-41-62(92(4,5)6)49-71(77)72-50-63(93(7,8)9)42-48-78(72)100)102-83-54-66(96(16,17)18)53-81-86(83)98(75)74-46-40-65(95(13,14)15)52-80(74)101(81)88-69(58-29-22-19-23-30-58)35-28-36-70(88)59-31-24-20-25-32-59;1-82(2,3)59-33-29-53(30-34-59)57-45-73-79-77(47-57)91-75-52-76-70(51-69(75)87(79)67-43-39-62(85(10,11)12)49-71(67)89(73)64-41-37-61(38-42-64)84(7,8)9)88-68-44-40-63(86(13,14)15)50-72(68)90(74-46-58(48-78(92-76)80(74)88)54-31-35-60(36-32-54)83(4,5)6)81-65(55-23-18-16-19-24-55)27-22-28-66(81)56-25-20-17-21-26-56;1-76(2,3)55-33-37-58(38-34-55)81-65-45-56(77(4,5)6)35-39-61(65)79-63-47-64-70(48-69(63)83-71-43-53(41-67(81)73(71)79)49-23-14-10-15-24-49)84-72-44-54(50-25-16-11-17-26-50)42-68-74(72)80(64)62-40-36-57(78(7,8)9)46-66(62)82(68)75-59(51-27-18-12-19-28-51)31-22-32-60(75)52-29-20-13-21-30-52;1-73(2,3)51-31-35-55(36-32-51)79-62-41-52(74(4,5)6)33-37-58(62)77-61-45-60-66(46-67(61)82-69-44-54(76(10,11)12)43-65(79)71(69)77)81-68-40-50(47-23-16-13-17-24-47)39-64-70(68)78(60)59-38-34-53(75(7,8)9)42-63(59)80(64)72-56(48-25-18-14-19-26-48)29-22-30-57(72)49-27-20-15-21-28-49/h19-57H,1-18H3;16-52H,1-15H3;10-48H,1-9H3;13-46H,1-12H3
• InChIKey: PFEIRAZYLVGYBG-UHFFFAOYSA-N
• XLogP: 75.78
• TPSA: 104.69 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 361
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4689.73
LogP ≤ 5	75.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene?

The IUPAC name of 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene (CID 165048054) is 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene.

What is the SMILES notation for 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene?

The canonical SMILES for 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene is CC(C)(C)c1ccc(-c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)ccc2B4c2cc4c(cc2O3)Oc2cc(-c3ccc(C(C)(C)C)cc3)cc3c2B4c2ccc(C(C)(C)C)cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4cc5c(c(-c6ccccc6)c4Oc4cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc2c43)Oc2cc(C(C)(C)C)cc3c2B5c2ccc(C(C)(C)C)cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4cc5c(cc4Oc4cc(-c6ccccc6)cc2c43)Oc2cc(-c3ccccc3)cc3c2B5c2ccc(C(C)(C)C)cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4cc5c(cc4Oc4cc(C(C)(C)C)cc2c43)Oc2cc(-c3ccccc3)cc3c2B5c2ccc(C(C)(C)C)cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.

What is the InChIKey of 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene?

The InChIKey is PFEIRAZYLVGYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H93B2N3O2.C86H82B2N2O2.C78H66B2N2O2.C76H70B2N2O2/c1-91(2,3)61-37-43-67(44-38-61)99-79-51-64(94(10,11)12)39-45-73(79)97-76-57-75-89(85(60-33-26-21-27-34-60)90(76)103-84-56-68(55-82(99)87(84)97)100-77-47-41-62(92(4,5)6)49-71(77)72-50-63(93(7,8)9)42-48-78(72)100)102-83-54-66(96(16,17)18)53-81-86(83)98(75)74-46-40-65(95(13,14)15)52-80(74)101(81)88-69(58-29-22-19-23-30-58)35-28-36-70(88)59-31-24-20-25-32-59;1-82(2,3)59-33-29-53(30-34-59)57-45-73-79-77(47-57)91-75-52-76-70(51-69(75)87(79)67-43-39-62(85(10,11)12)49-71(67)89(73)64-41-37-61(38-42-64)84(7,8)9)88-68-44-40-63(86(13,14)15)50-72(68)90(74-46-58(48-78(92-76)80(74)88)54-31-35-60(36-32-54)83(4,5)6)81-65(55-23-18-16-19-24-55)27-22-28-66(81)56-25-20-17-21-26-56;1-76(2,3)55-33-37-58(38-34-55)81-65-45-56(77(4,5)6)35-39-61(65)79-63-47-64-70(48-69(63)83-71-43-53(41-67(81)73(71)79)49-23-14-10-15-24-49)84-72-44-54(50-25-16-11-17-26-50)42-68-74(72)80(64)62-40-36-57(78(7,8)9)46-66(62)82(68)75-59(51-27-18-12-19-28-51)31-22-32-60(75)52-29-20-13-21-30-52;1-73(2,3)51-31-35-55(36-32-51)79-62-41-52(74(4,5)6)33-37-58(62)77-61-45-60-66(46-67(61)82-69-44-54(76(10,11)12)43-65(79)71(69)77)81-68-40-50(47-23-16-13-17-24-47)39-64-70(68)78(60)59-38-34-53(75(7,8)9)42-63(59)80(64)72-56(48-25-18-14-19-26-48)29-22-30-57(72)49-27-20-15-21-28-49/h19-57H,1-18H3;16-52H,1-15H3;10-48H,1-9H3;13-46H,1-12H3.

What are the key properties of 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene?

9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene has a molecular weight of 4689.73 g/mol, XLogP of 75.78, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 9,31-ditert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-15,25-diphenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,31-ditert-butyl-12,15,25-tris(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,25,31-tritert-butyl-12-(4-tert-butylphenyl)-15-(3,6-ditert-butylcarbazol-9-yl)-28-(2,6-diphenylphenyl)-20-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene;9,15,31-tritert-butyl-12-(4-tert-butylphenyl)-28-(2,6-diphenylphenyl)-25-phenyl-18,22-dioxa-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13(36),14,16,19,23,25,27(35),29(34),30,32-pentadecaene is sourced from PubChem (CID 165048054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).