22-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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

C306H236B6N12O3S3 — CID 167669671

About 22-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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 167669671) has the molecular formula C306H236B6N12O3S3 and a molecular weight of 4290.41 g/mol. Its IUPAC name is 22-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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: 167669671
• Molecular Formula: C306H236B6N12O3S3
• Molecular Weight: 4290.41 g/mol
• Exact Mass: 4287.84
• IUPAC Name: 22-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)cc2c53)B2c3ccccc3Oc3cc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc(c32)S4)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)cc2c53)B2c3ccccc3Oc3cc(N(c5ccccc5)c5ccccc5)cc(c32)S4)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3Oc3cc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc(c32)S4)cc1
• InChI: InChI=1S/C110H84B2N4OS.2C98H76B2N4OS/c1-109(2,3)83-57-49-79(50-58-83)92-43-28-44-93(80-51-59-84(60-52-80)110(4,5)6)108(92)116-99-72-104-97(112-95-46-23-25-48-102(95)117-103-69-91(70-105(118-104)107(103)112)114(87-63-55-78(56-64-87)74-31-14-8-15-32-74)89-42-27-38-82(66-89)76-35-18-10-19-36-76)71-96(99)111-94-45-22-24-47-98(94)115(85-39-20-11-21-40-85)100-67-90(68-101(116)106(100)111)113(86-61-53-77(54-62-86)73-29-12-7-13-30-73)88-41-26-37-81(65-88)75-33-16-9-17-34-75;1-97(2,3)71-52-46-68(47-53-71)80-40-27-41-81(69-48-54-72(55-49-69)98(4,5)6)96(80)104-87-64-92-85(100-83-43-23-25-45-90(83)105-91-61-79(62-93(106-92)95(91)100)101(73-33-16-9-17-34-73)74-35-18-10-19-36-74)63-84(87)99-82-42-22-24-44-86(82)103(75-37-20-11-21-38-75)88-59-78(60-89(104)94(88)99)102(76-56-50-67(51-57-76)65-28-12-7-13-29-65)77-39-26-32-70(58-77)66-30-14-8-15-31-66;1-97(2,3)71-52-46-68(47-53-71)80-40-27-41-81(69-48-54-72(55-49-69)98(4,5)6)96(80)104-87-64-92-85(63-84(87)99-82-42-22-24-44-86(82)103(75-37-20-11-21-38-75)88-59-78(60-89(104)94(88)99)101(73-33-16-9-17-34-73)74-35-18-10-19-36-74)100-83-43-23-25-45-90(83)105-91-61-79(62-93(106-92)95(91)100)102(76-56-50-67(51-57-76)65-28-12-7-13-29-65)77-39-26-32-70(58-77)66-30-14-8-15-31-66/h7-72H,1-6H3;2*7-64H,1-6H3
• InChIKey: TXLUWWZWDICDQN-UHFFFAOYSA-N
• XLogP: 72.51
• TPSA: 66.57 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 38
• Heavy Atoms: 330
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4290.41
LogP ≤ 5	72.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 22-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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 167669671) is 22-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)cc2c53)B2c3ccccc3Oc3cc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc(c32)S4)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)cc2c53)B2c3ccccc3Oc3cc(N(c5ccccc5)c5ccccc5)cc(c32)S4)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3Oc3cc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc(c32)S4)cc1.

What is the InChIKey of 22-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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 TXLUWWZWDICDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H84B2N4OS.2C98H76B2N4OS/c1-109(2,3)83-57-49-79(50-58-83)92-43-28-44-93(80-51-59-84(60-52-80)110(4,5)6)108(92)116-99-72-104-97(112-95-46-23-25-48-102(95)117-103-69-91(70-105(118-104)107(103)112)114(87-63-55-78(56-64-87)74-31-14-8-15-32-74)89-42-27-38-82(66-89)76-35-18-10-19-36-76)71-96(99)111-94-45-22-24-47-98(94)115(85-39-20-11-21-40-85)100-67-90(68-101(116)106(100)111)113(86-61-53-77(54-62-86)73-29-12-7-13-30-73)88-41-26-37-81(65-88)75-33-16-9-17-34-75;1-97(2,3)71-52-46-68(47-53-71)80-40-27-41-81(69-48-54-72(55-49-69)98(4,5)6)96(80)104-87-64-92-85(100-83-43-23-25-45-90(83)105-91-61-79(62-93(106-92)95(91)100)101(73-33-16-9-17-34-73)74-35-18-10-19-36-74)63-84(87)99-82-42-22-24-44-86(82)103(75-37-20-11-21-38-75)88-59-78(60-89(104)94(88)99)102(76-56-50-67(51-57-76)65-28-12-7-13-29-65)77-39-26-32-70(58-77)66-30-14-8-15-31-66;1-97(2,3)71-52-46-68(47-53-71)80-40-27-41-81(69-48-54-72(55-49-69)98(4,5)6)96(80)104-87-64-92-85(63-84(87)99-82-42-22-24-44-86(82)103(75-37-20-11-21-38-75)88-59-78(60-89(104)94(88)99)101(73-33-16-9-17-34-73)74-35-18-10-19-36-74)100-83-43-23-25-45-90(83)105-91-61-79(62-93(106-92)95(91)100)102(76-56-50-67(51-57-76)65-28-12-7-13-29-65)77-39-26-32-70(58-77)66-30-14-8-15-31-66/h7-72H,1-6H3;2*7-64H,1-6H3.

What are the key properties of 22-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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 4290.41 g/mol, XLogP of 72.51, 38 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(3-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12-oxa-18-thia-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-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-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 167669671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).