9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine

C414H372Br8N4 — CID 161046858

About 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine

9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine (PubChem CID 161046858) has the molecular formula C414H372Br8N4 and a molecular weight of 6042.79 g/mol. Its IUPAC name is 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine.

Molecular Properties

• Compound Name: 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine
• PubChem CID: 161046858
• Molecular Formula: C414H372Br8N4
• Molecular Weight: 6042.79 g/mol
• Exact Mass: 6030.27
• IUPAC Name: 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine
• SMILES: CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)ccc3-c3ccc4c(c32)C(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2cc(-c3ccc(-c5ccccc5)cc3)c3ccccc3c2-4)cc1.CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3cc(Br)ccc3-c3ccc4c(c32)C(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2cc(Br)c3ccccc3c2-4)cc1.CC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2cc(N(c4ccc(Br)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc4c2-3)cc1.CC1(C)c2cc(/C=C/c3ccc(Br)cc3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(/C=C/c2ccc(Br)cc2)c2ccccc2c1-3.CC1(C)c2cc(Br)ccc2-c2ccc3c(c21)C(C)(C)c1cc(Br)c2ccccc2c1-3.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2ccccc2c1-3.Cc1ccccc1-c1ccc2c(c1)C(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1c-2ccc2c1C(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(-c3ccccc3C)c3ccccc3c1-2
• InChI: InChI=1S/C88H80.C78H76.C64H62Br2.C60H56Br2N2.C52H42N2.C44H34Br2.C28H22Br2/c1-83(2,3)64-36-44-68(45-37-64)87(69-46-38-65(39-47-69)84(4,5)6)78-55-63(61-29-27-59(28-30-61)57-21-15-13-16-22-57)35-52-73(78)75-53-54-76-80-74-26-20-19-25-72(74)77(62-33-31-60(32-34-62)58-23-17-14-18-24-58)56-79(80)88(82(76)81(75)87,70-48-40-66(41-49-70)85(7,8)9)71-50-42-67(43-51-71)86(10,11)12;1-49-21-15-17-23-60(49)51-27-44-63-65-45-46-66-70-64-26-20-19-25-62(64)67(61-24-18-16-22-50(61)2)48-69(70)78(58-40-32-54(33-41-58)75(9,10)11,59-42-34-55(35-43-59)76(12,13)14)72(66)71(65)77(68(63)47-51,56-36-28-52(29-37-56)73(3,4)5)57-38-30-53(31-39-57)74(6,7)8;1-59(2,3)39-17-25-43(26-18-39)63(44-27-19-40(20-28-44)60(4,5)6)53-37-47(65)33-34-48(53)51-35-36-52-56-50-16-14-13-15-49(50)55(66)38-54(56)64(58(52)57(51)63,45-29-21-41(22-30-45)61(7,8)9)46-31-23-42(24-32-46)62(10,11)12;1-57(2,3)37-15-23-41(24-16-37)63(42-27-19-39(61)20-28-42)45-31-32-46-49-33-34-50-54-48-14-12-11-13-47(48)53(36-52(54)60(9,10)56(50)55(49)59(7,8)51(46)35-45)64(44-29-21-40(62)22-30-44)43-25-17-38(18-26-43)58(4,5)6;1-51(2)45-33-39(53(35-19-9-5-10-20-35)36-21-11-6-12-22-36)29-30-40(45)43-31-32-44-48-42-28-18-17-27-41(42)47(34-46(48)52(3,4)50(44)49(43)51)54(37-23-13-7-14-24-37)38-25-15-8-16-26-38;1-43(2)38-25-29(10-9-27-12-18-31(45)19-13-27)16-22-34(38)36-23-24-37-40-35-8-6-5-7-33(35)30(17-11-28-14-20-32(46)21-15-28)26-39(40)44(3,4)42(37)41(36)43;1-27(2)21-13-15(29)9-10-16(21)19-11-12-20-24-18-8-6-5-7-17(18)23(30)14-22(24)28(3,4)26(20)25(19)27/h13-56H,1-12H3;15-48H,1-14H3;13-38H,1-12H3;11-36H,1-10H3;5-34H,1-4H3;5-26H,1-4H3;5-14H,1-4H3/b;;;;;10-9+,17-11+
• InChIKey: UBPMLZSICLDYNP-CXYNXSIVSA-N
• XLogP: 117.61
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 34
• Heavy Atoms: 426
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	6042.79
LogP ≤ 5	117.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine?

The IUPAC name of 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine (CID 161046858) is 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine.

What is the SMILES notation for 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine?

The canonical SMILES for 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)ccc3-c3ccc4c(c32)C(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2cc(-c3ccc(-c5ccccc5)cc3)c3ccccc3c2-4)cc1.CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3cc(Br)ccc3-c3ccc4c(c32)C(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2cc(Br)c3ccccc3c2-4)cc1.CC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2cc(N(c4ccc(Br)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc4c2-3)cc1.CC1(C)c2cc(/C=C/c3ccc(Br)cc3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(/C=C/c2ccc(Br)cc2)c2ccccc2c1-3.CC1(C)c2cc(Br)ccc2-c2ccc3c(c21)C(C)(C)c1cc(Br)c2ccccc2c1-3.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2ccccc2c1-3.Cc1ccccc1-c1ccc2c(c1)C(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1c-2ccc2c1C(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(-c3ccccc3C)c3ccccc3c1-2.

What is the InChIKey of 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine?

The InChIKey is UBPMLZSICLDYNP-CXYNXSIVSA-N. The full InChI is InChI=1S/C88H80.C78H76.C64H62Br2.C60H56Br2N2.C52H42N2.C44H34Br2.C28H22Br2/c1-83(2,3)64-36-44-68(45-37-64)87(69-46-38-65(39-47-69)84(4,5)6)78-55-63(61-29-27-59(28-30-61)57-21-15-13-16-22-57)35-52-73(78)75-53-54-76-80-74-26-20-19-25-72(74)77(62-33-31-60(32-34-62)58-23-17-14-18-24-58)56-79(80)88(82(76)81(75)87,70-48-40-66(41-49-70)85(7,8)9)71-50-42-67(43-51-71)86(10,11)12;1-49-21-15-17-23-60(49)51-27-44-63-65-45-46-66-70-64-26-20-19-25-62(64)67(61-24-18-16-22-50(61)2)48-69(70)78(58-40-32-54(33-41-58)75(9,10)11,59-42-34-55(35-43-59)76(12,13)14)72(66)71(65)77(68(63)47-51,56-36-28-52(29-37-56)73(3,4)5)57-38-30-53(31-39-57)74(6,7)8;1-59(2,3)39-17-25-43(26-18-39)63(44-27-19-40(20-28-44)60(4,5)6)53-37-47(65)33-34-48(53)51-35-36-52-56-50-16-14-13-15-49(50)55(66)38-54(56)64(58(52)57(51)63,45-29-21-41(22-30-45)61(7,8)9)46-31-23-42(24-32-46)62(10,11)12;1-57(2,3)37-15-23-41(24-16-37)63(42-27-19-39(61)20-28-42)45-31-32-46-49-33-34-50-54-48-14-12-11-13-47(48)53(36-52(54)60(9,10)56(50)55(49)59(7,8)51(46)35-45)64(44-29-21-40(62)22-30-44)43-25-17-38(18-26-43)58(4,5)6;1-51(2)45-33-39(53(35-19-9-5-10-20-35)36-21-11-6-12-22-36)29-30-40(45)43-31-32-44-48-42-28-18-17-27-41(42)47(34-46(48)52(3,4)50(44)49(43)51)54(37-23-13-7-14-24-37)38-25-15-8-16-26-38;1-43(2)38-25-29(10-9-27-12-18-31(45)19-13-27)16-22-34(38)36-23-24-37-40-35-8-6-5-7-33(35)30(17-11-28-14-20-32(46)21-15-28)26-39(40)44(3,4)42(37)41(36)43;1-27(2)21-13-15(29)9-10-16(21)19-11-12-20-24-18-8-6-5-7-17(18)23(30)14-22(24)28(3,4)26(20)25(19)27/h13-56H,1-12H3;15-48H,1-14H3;13-38H,1-12H3;11-36H,1-10H3;5-34H,1-4H3;5-26H,1-4H3;5-14H,1-4H3/b;;;;;10-9+,17-11+;.

What are the key properties of 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine?

9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine has a molecular weight of 6042.79 g/mol, XLogP of 117.61, 34 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,18-N-bis(4-bromophenyl)-9-N,18-N-bis(4-tert-butylphenyl)-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine;9,18-bis[(E)-2-(4-bromophenyl)ethenyl]-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetrakis(4-tert-butylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;9,18-dibromo-12,12,15,15-tetramethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(2-methylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetrakis(4-tert-butylphenyl)-9,18-bis(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;12,12,15,15-tetramethyl-9-N,9-N,18-N,18-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine is sourced from PubChem (CID 161046858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).