22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

C352H240B8N16S8 — CID 167544500

About 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (PubChem CID 167544500) has the molecular formula C352H240B8N16S8 and a molecular weight of 5036.94 g/mol. Its IUPAC name is 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

Molecular Properties

• Compound Name: 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• PubChem CID: 167544500
• Molecular Formula: C352H240B8N16S8
• Molecular Weight: 5036.94 g/mol
• Exact Mass: 5033.78
• IUPAC Name: 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• SMILES: CC(C)(C)c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)cc2c53)B2c3ccccc3Sc3cc(N(c5ccccc5)c5ccccc5)cc(c32)S4)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c3)N(c3c(-c6ccccc6)cccc3-c3ccccc3)c3cc6c(cc3B5c3ccccc3N4c3ccccc3)B3c4ccccc4Sc4cc(N(c5ccccc5)c5ccccc5)cc(c43)S6)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5c(c3)N(c3c(-c6ccccc6)cccc3-c3ccccc3)c3cc6c(cc3B5c3ccccc3N4c3ccccc3)B3c4ccccc4Sc4cc(N(c5ccccc5)c5ccccc5)cc(c43)S6)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5c(c3)N(c3ccccc3-c3ccccc3)c3cc6c(cc3B5c3ccccc3N4c3ccccc3)B3c4ccccc4Sc4cc(N(c5ccccc5)c5ccccc5)cc(c43)S6)cc2)cc1
• InChI: InChI=1S/2C90H60B2N4S2.C88H64B2N4S2.C84H56B2N4S2/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)72-55-82-88-83(56-72)96(90-74(64-32-12-3-13-33-64)44-27-45-75(90)65-34-14-4-15-35-65)81-60-85-79(59-78(81)91(88)76-46-22-24-48-80(76)95(82)69-41-20-7-21-42-69)92-77-47-23-25-49-84(77)97-86-57-73(58-87(98-85)89(86)92)93(67-37-16-5-17-38-67)68-39-18-6-19-40-68;1-8-27-61(28-9-1)63-47-51-70(52-48-63)94(71-53-49-64(50-54-71)62-29-10-2-11-30-62)72-55-82-88-83(56-72)96(90-74(65-31-12-3-13-32-65)41-26-42-75(90)66-33-14-4-15-34-66)81-60-85-79(59-78(81)91(88)76-43-22-24-45-80(76)95(82)69-39-20-7-21-40-69)92-77-44-23-25-46-84(77)97-86-57-73(58-87(98-85)89(86)92)93(67-35-16-5-17-36-67)68-37-18-6-19-38-68;1-88(2,3)64-48-44-62(45-49-64)72-38-19-22-41-77(72)94-79-58-83-76(90-74-40-21-24-43-82(74)95-84-55-71(56-85(96-83)87(84)90)91(65-31-13-6-14-32-65)66-33-15-7-16-34-66)57-75(79)89-73-39-20-23-42-78(73)93(67-35-17-8-18-36-67)80-53-70(54-81(94)86(80)89)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;1-7-26-57(27-8-1)59-46-48-65(49-47-59)88(66-39-25-32-61(50-66)58-28-9-2-10-29-58)67-51-77-83-78(52-67)90(74-43-22-19-40-69(74)60-30-11-3-12-31-60)76-56-80-73(55-72(76)85(83)70-41-20-23-44-75(70)89(77)64-37-17-6-18-38-64)86-71-42-21-24-45-79(71)91-81-53-68(54-82(92-80)84(81)86)87(62-33-13-4-14-34-62)63-35-15-5-16-36-63/h2*1-60H;4-58H,1-3H3;1-56H
• InChIKey: BPNSYZSKADDUOY-UHFFFAOYSA-N
• XLogP: 81.25
• TPSA: 51.84 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 384
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5036.94
LogP ≤ 5	81.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The IUPAC name of 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (CID 167544500) is 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

What is the SMILES notation for 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The canonical SMILES for 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is CC(C)(C)c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)cc2c53)B2c3ccccc3Sc3cc(N(c5ccccc5)c5ccccc5)cc(c32)S4)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c3)N(c3c(-c6ccccc6)cccc3-c3ccccc3)c3cc6c(cc3B5c3ccccc3N4c3ccccc3)B3c4ccccc4Sc4cc(N(c5ccccc5)c5ccccc5)cc(c43)S6)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5c(c3)N(c3c(-c6ccccc6)cccc3-c3ccccc3)c3cc6c(cc3B5c3ccccc3N4c3ccccc3)B3c4ccccc4Sc4cc(N(c5ccccc5)c5ccccc5)cc(c43)S6)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5c(c3)N(c3ccccc3-c3ccccc3)c3cc6c(cc3B5c3ccccc3N4c3ccccc3)B3c4ccccc4Sc4cc(N(c5ccccc5)c5ccccc5)cc(c43)S6)cc2)cc1.

What is the InChIKey of 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The InChIKey is BPNSYZSKADDUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C90H60B2N4S2.C88H64B2N4S2.C84H56B2N4S2/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)72-55-82-88-83(56-72)96(90-74(64-32-12-3-13-33-64)44-27-45-75(90)65-34-14-4-15-35-65)81-60-85-79(59-78(81)91(88)76-46-22-24-48-80(76)95(82)69-41-20-7-21-42-69)92-77-47-23-25-49-84(77)97-86-57-73(58-87(98-85)89(86)92)93(67-37-16-5-17-38-67)68-39-18-6-19-40-68;1-8-27-61(28-9-1)63-47-51-70(52-48-63)94(71-53-49-64(50-54-71)62-29-10-2-11-30-62)72-55-82-88-83(56-72)96(90-74(65-31-12-3-13-32-65)41-26-42-75(90)66-33-14-4-15-34-66)81-60-85-79(59-78(81)91(88)76-43-22-24-45-80(76)95(82)69-39-20-7-21-40-69)92-77-44-23-25-46-84(77)97-86-57-73(58-87(98-85)89(86)92)93(67-35-16-5-17-36-67)68-37-18-6-19-38-68;1-88(2,3)64-48-44-62(45-49-64)72-38-19-22-41-77(72)94-79-58-83-76(90-74-40-21-24-43-82(74)95-84-55-71(56-85(96-83)87(84)90)91(65-31-13-6-14-32-65)66-33-15-7-16-34-66)57-75(79)89-73-39-20-23-42-78(73)93(67-35-17-8-18-36-67)80-53-70(54-81(94)86(80)89)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;1-7-26-57(27-8-1)59-46-48-65(49-47-59)88(66-39-25-32-61(50-66)58-28-9-2-10-29-58)67-51-77-83-78(52-67)90(74-43-22-19-40-69(74)60-30-11-3-12-31-60)76-56-80-73(55-72(76)85(83)70-41-20-23-44-75(70)89(77)64-37-17-6-18-38-64)86-71-42-21-24-45-79(71)91-81-53-68(54-82(92-80)84(81)86)87(62-33-13-4-14-34-62)63-35-15-5-16-36-63/h2*1-60H;4-58H,1-3H3;1-56H.

What are the key properties of 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine has a molecular weight of 5036.94 g/mol, XLogP of 81.25, 46 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is sourced from PubChem (CID 167544500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).