18-[2-(4-tert-butylphenyl)phenyl]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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

C286H268B6N12S6 — CID 167676695

About 18-[2-(4-tert-butylphenyl)phenyl]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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 167676695) has the molecular formula C286H268B6N12S6 and a molecular weight of 4130.65 g/mol. Its IUPAC name is 18-[2-(4-tert-butylphenyl)phenyl]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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: 167676695
• Molecular Formula: C286H268B6N12S6
• Molecular Weight: 4130.65 g/mol
• Exact Mass: 4128.02
• IUPAC Name: 18-[2-(4-tert-butylphenyl)phenyl]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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(cc3B3c5cc(C(C)(C)C)ccc5Sc5cc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc2c53)B2c3cc(C(C)(C)C)ccc3N(c3ccc(C(C)(C)C)cc3)c3cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc(c32)S4)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc3c4c(c2)N(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2B4c2cc4c(cc2S3)N(c2ccccc2-c2ccc(C(C)(C)C)cc2)c2cc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)cc3c2B4c2cc(C(C)C)ccc2S3)cc1.Cc1cccc(-c2ccccc2)c1N1c2cc3c(cc2B2c4ccccc4Sc4cc(N(c5ccccc5)c5ccccc5)cc1c42)B1c2ccccc2N(c2ccccc2)c2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc(c21)S3
• InChI: InChI=1S/C104H112B2N4S2.C97H98B2N4S2.C85H58B2N4S2/c1-97(2,3)66-31-29-65(30-32-66)81-27-25-26-28-86(81)110-88-64-92-85(63-83(88)106-84-58-73(104(22,23)24)44-56-91(84)111-93-61-80(60-90(110)96(93)106)108(76-49-37-69(38-50-76)100(10,11)12)77-51-39-70(40-52-77)101(13,14)15)105-82-57-72(103(19,20)21)43-55-87(82)109(78-53-41-71(42-54-78)102(16,17)18)89-59-79(62-94(112-92)95(89)105)107(74-45-33-67(34-46-74)98(4,5)6)75-47-35-68(36-48-75)99(7,8)9;1-58(2)65-24-38-74(39-25-65)100(75-40-26-66(27-41-75)59(3)4)79-52-89-95-94(55-79)105-92-57-88-83(56-85(92)98(95)82-50-71(63(11)12)34-48-87(82)102(89)78-46-32-69(33-47-78)62(9)10)99-84-51-72(64(13)14)35-49-91(84)104-93-54-80(101(76-42-28-67(29-43-76)60(5)6)77-44-30-68(31-45-77)61(7)8)53-90(96(93)99)103(88)86-21-19-18-20-81(86)70-22-36-73(37-23-70)97(15,16)17;1-57-25-24-38-70(62-30-12-4-13-31-62)85(57)91-76-56-80-74(55-73(76)87-72-40-21-23-42-79(72)92-81-53-69(52-78(91)84(81)87)88(63-32-14-5-15-33-63)64-34-16-6-17-35-64)86-71-39-20-22-41-75(71)90(65-36-18-7-19-37-65)77-51-68(54-82(93-80)83(77)86)89(66-47-43-60(44-48-66)58-26-8-2-9-27-58)67-49-45-61(46-50-67)59-28-10-3-11-29-59/h25-64H,1-24H3;18-64H,1-17H3;2-56H,1H3
• InChIKey: UXPUPMOXMAHRPX-UHFFFAOYSA-N
• XLogP: 70.65
• TPSA: 38.88 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 36
• Heavy Atoms: 310
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4130.65
LogP ≤ 5	70.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 18-[2-(4-tert-butylphenyl)phenyl]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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 167676695) is 18-[2-(4-tert-butylphenyl)phenyl]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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(cc3B3c5cc(C(C)(C)C)ccc5Sc5cc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc2c53)B2c3cc(C(C)(C)C)ccc3N(c3ccc(C(C)(C)C)cc3)c3cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc(c32)S4)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc3c4c(c2)N(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2B4c2cc4c(cc2S3)N(c2ccccc2-c2ccc(C(C)(C)C)cc2)c2cc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)cc3c2B4c2cc(C(C)C)ccc2S3)cc1.Cc1cccc(-c2ccccc2)c1N1c2cc3c(cc2B2c4ccccc4Sc4cc(N(c5ccccc5)c5ccccc5)cc1c42)B1c2ccccc2N(c2ccccc2)c2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc(c21)S3.

What is the InChIKey of 18-[2-(4-tert-butylphenyl)phenyl]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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 UXPUPMOXMAHRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H112B2N4S2.C97H98B2N4S2.C85H58B2N4S2/c1-97(2,3)66-31-29-65(30-32-66)81-27-25-26-28-86(81)110-88-64-92-85(63-83(88)106-84-58-73(104(22,23)24)44-56-91(84)111-93-61-80(60-90(110)96(93)106)108(76-49-37-69(38-50-76)100(10,11)12)77-51-39-70(40-52-77)101(13,14)15)105-82-57-72(103(19,20)21)43-55-87(82)109(78-53-41-71(42-54-78)102(16,17)18)89-59-79(62-94(112-92)95(89)105)107(74-45-33-67(34-46-74)98(4,5)6)75-47-35-68(36-48-75)99(7,8)9;1-58(2)65-24-38-74(39-25-65)100(75-40-26-66(27-41-75)59(3)4)79-52-89-95-94(55-79)105-92-57-88-83(56-85(92)98(95)82-50-71(63(11)12)34-48-87(82)102(89)78-46-32-69(33-47-78)62(9)10)99-84-51-72(64(13)14)35-49-91(84)104-93-54-80(101(76-42-28-67(29-43-76)60(5)6)77-44-30-68(31-45-77)61(7)8)53-90(96(93)99)103(88)86-21-19-18-20-81(86)70-22-36-73(37-23-70)97(15,16)17;1-57-25-24-38-70(62-30-12-4-13-31-62)85(57)91-76-56-80-74(55-73(76)87-72-40-21-23-42-79(72)92-81-53-69(52-78(91)84(81)87)88(63-32-14-5-15-33-63)64-34-16-6-17-35-64)86-71-39-20-22-41-75(71)90(65-36-18-7-19-37-65)77-51-68(54-82(93-80)83(77)86)89(66-47-43-60(44-48-66)58-26-8-2-9-27-58)67-49-45-61(46-50-67)59-28-10-3-11-29-59/h25-64H,1-24H3;18-64H,1-17H3;2-56H,1H3.

What are the key properties of 18-[2-(4-tert-butylphenyl)phenyl]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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 4130.65 g/mol, XLogP of 70.65, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[2-(4-tert-butylphenyl)phenyl]-8,32-di(propan-2-yl)-15-N,15-N,25-N,25-N,28-pentakis(4-propan-2-ylphenyl)-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;8,32-ditert-butyl-15-N,15-N,25-N,25-N,28-pentakis(4-tert-butylphenyl)-18-[2-(4-tert-butylphenyl)phenyl]-12,22-dithia-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(11),7,9,13,15,17(36),19,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-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 167676695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).