31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene

C266H188 — CID 158865752

About 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene

31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene (PubChem CID 158865752) has the molecular formula C266H188 and a molecular weight of 3384.43 g/mol. Its IUPAC name is 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene.

Molecular Properties

• Compound Name: 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene
• PubChem CID: 158865752
• Molecular Formula: C266H188
• Molecular Weight: 3384.43 g/mol
• Exact Mass: 3381.47
• IUPAC Name: 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene
• SMILES: CC(C)c1c2cc3c(cc2c(C(C)C)c2c4ccc5c6ccc7c8c(ccc(c9ccc(c12)c4c95)c86)-c1ccc(C(C)(C)C)cc1-7)c1cc(C(C)(C)C)cc2cc(C(C)(C)C)cc3c21.Cc1ccccc1-c1c2cc3c(cc2c(-c2ccccc2C)c2c4ccc5c6ccc7c8c(ccc(c9ccc(c12)c4c95)c86)-c1ccc(C(C)(C)C)cc1-7)c1cccc2cccc3c21.Cc1ccccc1-c1c2cc3c(cc2c(-c2ccccc2C)c2c4ccc5c6ccc7c8c(ccc(c9ccc(c12)c4c95)c86)-c1ccccc1-7)c1cc(C(C)(C)C)cc2cc(C(C)(C)C)cc3c21.c1ccc(-c2c3c(-c4ccccc4)c4c5ccc6c7ccc8c9c(ccc(c%10ccc(c4c(-c4ccccc4)c3c(-c3ccccc3)c3c4cccc%11cccc(c23)c%114)c5c6%10)c97)-c2ccccc2-8)cc1
• InChI: InChI=1S/C70H38.C68H50.C64H42.C64H58/c1-5-17-40(18-6-1)57-65-52-29-15-25-39-26-16-30-53(56(39)52)66(65)58(41-19-7-2-8-20-41)70-60(43-23-11-4-12-24-43)68-55-38-36-51-49-34-32-47-45-28-14-13-27-44(45)46-31-33-48(62(49)61(46)47)50-35-37-54(64(55)63(50)51)67(68)59(69(57)70)42-21-9-3-10-22-42;1-35-15-9-11-17-40(35)59-56-33-52-53(55-32-39(68(6,7)8)30-37-29-38(67(3,4)5)31-54(52)58(37)55)34-57(56)60(41-18-12-10-16-36(41)2)66-51-28-26-49-47-24-22-45-43-20-14-13-19-42(43)44-21-23-46(62(47)61(44)45)48-25-27-50(65(59)66)64(51)63(48)49;1-33-12-6-8-16-37(33)56-53-31-51-40-18-10-14-35-15-11-19-41(55(35)40)52(51)32-54(53)57(38-17-9-7-13-34(38)2)63-49-29-27-46-44-24-25-47-50-30-36(64(3,4)5)20-21-39(50)42-22-23-43(59(44)58(42)47)45-26-28-48(62(56)63)61(49)60(45)46;1-31(2)53-51-29-47-48(50-28-36(64(11,12)13)25-33-24-35(63(8,9)10)27-49(47)55(33)50)30-52(51)54(32(3)4)61-45-23-21-42-40-18-19-43-46-26-34(62(5,6)7)14-15-37(46)38-16-17-39(57(40)56(38)43)41-20-22-44(60(53)61)59(45)58(41)42/h1-38H;9-34H,1-8H3;6-32H,1-5H3;14-32H,1-13H3
• InChIKey: JBFCFXQCRRDVBK-UHFFFAOYSA-N
• XLogP: 77.32
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3384.43
LogP ≤ 5	77.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene?

The IUPAC name of 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene (CID 158865752) is 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene.

What is the SMILES notation for 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene?

The canonical SMILES for 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene is CC(C)c1c2cc3c(cc2c(C(C)C)c2c4ccc5c6ccc7c8c(ccc(c9ccc(c12)c4c95)c86)-c1ccc(C(C)(C)C)cc1-7)c1cc(C(C)(C)C)cc2cc(C(C)(C)C)cc3c21.Cc1ccccc1-c1c2cc3c(cc2c(-c2ccccc2C)c2c4ccc5c6ccc7c8c(ccc(c9ccc(c12)c4c95)c86)-c1ccc(C(C)(C)C)cc1-7)c1cccc2cccc3c21.Cc1ccccc1-c1c2cc3c(cc2c(-c2ccccc2C)c2c4ccc5c6ccc7c8c(ccc(c9ccc(c12)c4c95)c86)-c1ccccc1-7)c1cc(C(C)(C)C)cc2cc(C(C)(C)C)cc3c21.c1ccc(-c2c3c(-c4ccccc4)c4c5ccc6c7ccc8c9c(ccc(c%10ccc(c4c(-c4ccccc4)c3c(-c3ccccc3)c3c4cccc%11cccc(c23)c%114)c5c6%10)c97)-c2ccccc2-8)cc1.

What is the InChIKey of 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene?

The InChIKey is JBFCFXQCRRDVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H38.C68H50.C64H42.C64H58/c1-5-17-40(18-6-1)57-65-52-29-15-25-39-26-16-30-53(56(39)52)66(65)58(41-19-7-2-8-20-41)70-60(43-23-11-4-12-24-43)68-55-38-36-51-49-34-32-47-45-28-14-13-27-44(45)46-31-33-48(62(49)61(46)47)50-35-37-54(64(55)63(50)51)67(68)59(69(57)70)42-21-9-3-10-22-42;1-35-15-9-11-17-40(35)59-56-33-52-53(55-32-39(68(6,7)8)30-37-29-38(67(3,4)5)31-54(52)58(37)55)34-57(56)60(41-18-12-10-16-36(41)2)66-51-28-26-49-47-24-22-45-43-20-14-13-19-42(43)44-21-23-46(62(47)61(44)45)48-25-27-50(65(59)66)64(51)63(48)49;1-33-12-6-8-16-37(33)56-53-31-51-40-18-10-14-35-15-11-19-41(55(35)40)52(51)32-54(53)57(38-17-9-7-13-34(38)2)63-49-29-27-46-44-24-25-47-50-30-36(64(3,4)5)20-21-39(50)42-22-23-43(59(44)58(42)47)45-26-28-48(62(56)63)61(49)60(45)46;1-31(2)53-51-29-47-48(50-28-36(64(11,12)13)25-33-24-35(63(8,9)10)27-49(47)55(33)50)30-52(51)54(32(3)4)61-45-23-21-42-40-18-19-43-46-26-34(62(5,6)7)14-15-37(46)38-16-17-39(57(40)56(38)43)41-20-22-44(60(53)61)59(45)58(41)42/h1-38H;9-34H,1-8H3;6-32H,1-5H3;14-32H,1-13H3.

What are the key properties of 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene?

31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene has a molecular weight of 3384.43 g/mol, XLogP of 77.32, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 31-tert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene;9,13-ditert-butyl-3,19-bis(2-methylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7,9,11,13,15(46),16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;3,5,17,19-tetraphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4,6(16),7,9,11(46),12,14,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene;9,13,31-tritert-butyl-3,19-di(propan-2-yl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7(46),8,10,12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene is sourced from PubChem (CID 158865752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).