18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

C350H244B8N16O4S4 — CID 167570678

About 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (PubChem CID 167570678) has the molecular formula C350H244B8N16O4S4 and a molecular weight of 4952.67 g/mol. Its IUPAC name is 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

Molecular Properties

• Compound Name: 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• PubChem CID: 167570678
• Molecular Formula: C350H244B8N16O4S4
• Molecular Weight: 4952.67 g/mol
• Exact Mass: 4949.90
• IUPAC Name: 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• SMILES: CC(C)(C)c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5Oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)cc2c53)B2c3ccccc3N(c3ccccc3)c3cc(N(c5ccccc5)c5ccccc5)cc(c32)S4)cc1.CC(C)(C)c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5Oc5cc(N(c6ccc(-c7ccccc7)cc6)c6ccccc6-c6ccccc6)cc2c53)B2c3ccccc3N(c3ccccc3)c3cc(N(c5ccccc5)c5ccccc5)cc(c32)S4)cc1.c1ccc(-c2ccc(N(c3cc4c5c(c3)N(c3ccccc3-c3ccccc3)c3cc6c(cc3B5c3ccccc3O4)B3c4ccccc4N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c43)S6)c3ccccc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5c(c3)N(c3c(-c6ccccc6)cccc3-c3ccccc3)c3cc6c(cc3B5c3ccccc3O4)B3c4ccccc4N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c43)S6)cc2)cc1
• InChI: InChI=1S/C90H60B2N4OS.2C88H64B2N4OS.C84H56B2N4OS/c1-8-28-61(29-9-1)63-50-52-70(53-51-63)94(71-43-26-36-66(54-71)62-30-10-2-11-31-62)72-55-82-88-85(57-72)97-84-49-25-23-47-77(84)92(88)78-59-79-86(60-81(78)96(82)90-74(64-32-12-3-13-33-64)44-27-45-75(90)65-34-14-4-15-35-65)98-87-58-73(93(67-37-16-5-17-38-67)68-39-18-6-19-40-68)56-83-89(87)91(79)76-46-22-24-48-80(76)95(83)69-41-20-7-21-42-69;1-88(2,3)63-49-45-62(46-50-63)71-38-20-24-42-77(71)94-79-58-84-75(89-72-39-21-25-43-78(72)93(66-35-17-8-18-36-66)81-54-69(56-85(96-84)87(81)89)91(64-31-13-6-14-32-64)65-33-15-7-16-34-65)57-74(79)90-73-40-22-26-44-82(73)95-83-55-68(53-80(94)86(83)90)92(67-51-47-60(48-52-67)59-27-9-4-10-28-59)76-41-23-19-37-70(76)61-29-11-5-12-30-61;1-88(2,3)64-48-44-62(45-49-64)72-38-19-22-41-77(72)94-79-58-84-76(89-73-39-20-23-42-78(73)93(67-35-17-8-18-36-67)81-54-71(56-85(96-84)87(81)89)91(65-31-13-6-14-32-65)66-33-15-7-16-34-66)57-75(79)90-74-40-21-24-43-82(74)95-83-55-70(53-80(94)86(83)90)92(68-50-46-61(47-51-68)59-26-9-4-10-27-59)69-37-25-30-63(52-69)60-28-11-5-12-29-60;1-7-27-57(28-8-1)58-47-49-64(50-48-58)88(73-43-23-19-39-67(73)59-29-9-2-10-30-59)65-51-77-83-80(53-65)91-79-46-26-22-42-70(79)86(83)71-55-72-81(56-76(71)90(77)74-44-24-20-40-68(74)60-31-11-3-12-32-60)92-82-54-66(87(61-33-13-4-14-34-61)62-35-15-5-16-36-62)52-78-84(82)85(72)69-41-21-25-45-75(69)89(78)63-37-17-6-18-38-63/h1-60H;2*4-58H,1-3H3;1-56H
• InChIKey: FWEMYAHSKBGSHT-UHFFFAOYSA-N
• XLogP: 79.45
• TPSA: 88.76 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 382
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4952.67
LogP ≤ 5	79.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The IUPAC name of 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (CID 167570678) is 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

What is the SMILES notation for 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The canonical SMILES for 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is CC(C)(C)c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5Oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)cc2c53)B2c3ccccc3N(c3ccccc3)c3cc(N(c5ccccc5)c5ccccc5)cc(c32)S4)cc1.CC(C)(C)c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5Oc5cc(N(c6ccc(-c7ccccc7)cc6)c6ccccc6-c6ccccc6)cc2c53)B2c3ccccc3N(c3ccccc3)c3cc(N(c5ccccc5)c5ccccc5)cc(c32)S4)cc1.c1ccc(-c2ccc(N(c3cc4c5c(c3)N(c3ccccc3-c3ccccc3)c3cc6c(cc3B5c3ccccc3O4)B3c4ccccc4N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c43)S6)c3ccccc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5c(c3)N(c3c(-c6ccccc6)cccc3-c3ccccc3)c3cc6c(cc3B5c3ccccc3O4)B3c4ccccc4N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c43)S6)cc2)cc1.

What is the InChIKey of 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The InChIKey is FWEMYAHSKBGSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60B2N4OS.2C88H64B2N4OS.C84H56B2N4OS/c1-8-28-61(29-9-1)63-50-52-70(53-51-63)94(71-43-26-36-66(54-71)62-30-10-2-11-31-62)72-55-82-88-85(57-72)97-84-49-25-23-47-77(84)92(88)78-59-79-86(60-81(78)96(82)90-74(64-32-12-3-13-33-64)44-27-45-75(90)65-34-14-4-15-35-65)98-87-58-73(93(67-37-16-5-17-38-67)68-39-18-6-19-40-68)56-83-89(87)91(79)76-46-22-24-48-80(76)95(83)69-41-20-7-21-42-69;1-88(2,3)63-49-45-62(46-50-63)71-38-20-24-42-77(71)94-79-58-84-75(89-72-39-21-25-43-78(72)93(66-35-17-8-18-36-66)81-54-69(56-85(96-84)87(81)89)91(64-31-13-6-14-32-64)65-33-15-7-16-34-65)57-74(79)90-73-40-22-26-44-82(73)95-83-55-68(53-80(94)86(83)90)92(67-51-47-60(48-52-67)59-27-9-4-10-28-59)76-41-23-19-37-70(76)61-29-11-5-12-30-61;1-88(2,3)64-48-44-62(45-49-64)72-38-19-22-41-77(72)94-79-58-84-76(89-73-39-20-23-42-78(73)93(67-35-17-8-18-36-67)81-54-71(56-85(96-84)87(81)89)91(65-31-13-6-14-32-65)66-33-15-7-16-34-66)57-75(79)90-74-40-21-24-43-82(74)95-83-55-70(53-80(94)86(83)90)92(68-50-46-61(47-51-68)59-26-9-4-10-27-59)69-37-25-30-63(52-69)60-28-11-5-12-29-60;1-7-27-57(28-8-1)58-47-49-64(50-48-58)88(73-43-23-19-39-67(73)59-29-9-2-10-30-59)65-51-77-83-80(53-65)91-79-46-26-22-42-70(79)86(83)71-55-72-81(56-76(71)90(77)74-44-24-20-40-68(74)60-31-11-3-12-32-60)92-82-54-66(87(61-33-13-4-14-34-61)62-35-15-5-16-36-62)52-78-84(82)85(72)69-41-21-25-45-75(69)89(78)63-37-17-6-18-38-63/h1-60H;2*4-58H,1-3H3;1-56H.

What are the key properties of 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine has a molecular weight of 4952.67 g/mol, XLogP of 79.45, 45 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,25-N,28-triphenyl-15-N,18-bis(2-phenylphenyl)-15-N-(4-phenylphenyl)-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-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is sourced from PubChem (CID 167570678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).