6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone

C282H309Br3N12O24 — CID 162169774

About 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone

6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone (PubChem CID 162169774) has the molecular formula C282H309Br3N12O24 and a molecular weight of 4490.35 g/mol. Its IUPAC name is 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone.

Molecular Properties

• Compound Name: 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone
• PubChem CID: 162169774
• Molecular Formula: C282H309Br3N12O24
• Molecular Weight: 4490.35 g/mol
• Exact Mass: 4484.09
• IUPAC Name: 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone
• SMILES: CCCCCCCCCCCn1c(=O)c2ccc3c4c(Br)cc5c(=O)n(CCCCCCCCCCC)c(=O)c6cc7c8c9cc%10c(=O)n(CCCCCCCCCCC)c(=O)c%11ccc%12c%13c(Br)cc%14c(=O)n(CCCCCCCCCCC)c(=O)c%15cc(c8c8cc(c1=O)c2c3c8c7c4c56)c(c9c%12c%11%10)c%13c%14%15.CCCCCCCCCCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCCCCCCCCCC)c(=O)c6cc7c8c9cc%10c(=O)n(CCCCCCCCCCC)c(=O)c%11cc(Br)c%12c%13ccc%14c(=O)n(CCCCCCCCCCC)c(=O)c%15cc(c8c8cc(c1=O)c2c3c8c7c4c56)c(c%13c%14%15)c9c%12c%11%10.CCCCCCCCCCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCCCCCCCCCC)c(=O)c6cc7c8c9cc%10c(=O)n(CCCCCCCCCCC)c(=O)c%11ccc%12c%13ccc%14c(=O)n(CCCCCCCCCCC)c(=O)c%15cc(c8c8cc(c1=O)c2c3c8c7c4c56)c(c%13c%14%15)c9c%12c%11%10
• InChI: InChI=1S/C94H102Br2N4O8.C94H103BrN4O8.C94H104N4O8/c1-5-9-13-17-21-25-29-33-37-45-97-87(101)57-43-41-55-77-69(95)53-67-75-66(92(106)100(93(67)107)48-40-36-32-28-24-20-16-12-8-4)52-62-74-60-50-64-72-58(88(102)98(90(64)104)46-38-34-30-26-22-18-14-10-6-2)44-42-56-78-70(96)54-68-76-65(91(105)99(94(68)108)47-39-35-31-27-23-19-15-11-7-3)51-61(84(86(76)78)82(60)80(56)72)73(74)59-49-63(89(97)103)71(57)79(55)81(59)83(62)85(75)77;1-5-9-13-17-21-25-29-33-37-47-96-87(100)59-44-41-56-57-42-45-60-73-67(91(104)97(88(60)101)48-38-34-30-26-22-18-14-10-6-2)52-63-76-65-54-69-77-70(94(107)99(93(69)106)50-40-36-32-28-24-20-16-12-8-4)55-71(95)78-58-43-46-61-74-68(92(105)98(89(61)102)49-39-35-31-27-23-19-15-11-7-3)53-64(84(81(58)74)85(65)86(77)78)75(76)62-51-66(90(96)103)72(59)79(56)82(62)83(63)80(57)73;1-5-9-13-17-21-25-29-33-37-49-95-87(99)61-45-41-57-58-42-46-62-74-71(93(105)97(88(62)100)51-39-35-31-27-23-19-15-11-7-3)55-67-78-68-56-72-76-64(90(102)98(94(72)106)52-40-36-32-28-24-20-16-12-8-4)48-44-60-59-43-47-63-75-70(92(104)96(89(63)101)50-38-34-30-26-22-18-14-10-6-2)54-66(85(81(59)75)86(68)82(60)76)77(78)65-53-69(91(95)103)73(61)79(57)83(65)84(67)80(58)74/h41-44,49-54H,5-40,45-48H2,1-4H3;41-46,51-55H,5-40,47-50H2,1-4H3;41-48,53-56H,5-40,49-52H2,1-4H3
• InChIKey: ZNQAQLLTWUBFPN-UHFFFAOYSA-N
• XLogP: 70.38
• TPSA: 468.84 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 120
• Heavy Atoms: 321
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4490.35
LogP ≤ 5	70.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone?

The IUPAC name of 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone (CID 162169774) is 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone.

What is the SMILES notation for 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone?

The canonical SMILES for 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone is CCCCCCCCCCCn1c(=O)c2ccc3c4c(Br)cc5c(=O)n(CCCCCCCCCCC)c(=O)c6cc7c8c9cc%10c(=O)n(CCCCCCCCCCC)c(=O)c%11ccc%12c%13c(Br)cc%14c(=O)n(CCCCCCCCCCC)c(=O)c%15cc(c8c8cc(c1=O)c2c3c8c7c4c56)c(c9c%12c%11%10)c%13c%14%15.CCCCCCCCCCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCCCCCCCCCC)c(=O)c6cc7c8c9cc%10c(=O)n(CCCCCCCCCCC)c(=O)c%11cc(Br)c%12c%13ccc%14c(=O)n(CCCCCCCCCCC)c(=O)c%15cc(c8c8cc(c1=O)c2c3c8c7c4c56)c(c%13c%14%15)c9c%12c%11%10.CCCCCCCCCCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCCCCCCCCCC)c(=O)c6cc7c8c9cc%10c(=O)n(CCCCCCCCCCC)c(=O)c%11ccc%12c%13ccc%14c(=O)n(CCCCCCCCCCC)c(=O)c%15cc(c8c8cc(c1=O)c2c3c8c7c4c56)c(c%13c%14%15)c9c%12c%11%10.

What is the InChIKey of 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone?

The InChIKey is ZNQAQLLTWUBFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H102Br2N4O8.C94H103BrN4O8.C94H104N4O8/c1-5-9-13-17-21-25-29-33-37-45-97-87(101)57-43-41-55-77-69(95)53-67-75-66(92(106)100(93(67)107)48-40-36-32-28-24-20-16-12-8-4)52-62-74-60-50-64-72-58(88(102)98(90(64)104)46-38-34-30-26-22-18-14-10-6-2)44-42-56-78-70(96)54-68-76-65(91(105)99(94(68)108)47-39-35-31-27-23-19-15-11-7-3)51-61(84(86(76)78)82(60)80(56)72)73(74)59-49-63(89(97)103)71(57)79(55)81(59)83(62)85(75)77;1-5-9-13-17-21-25-29-33-37-47-96-87(100)59-44-41-56-57-42-45-60-73-67(91(104)97(88(60)101)48-38-34-30-26-22-18-14-10-6-2)52-63-76-65-54-69-77-70(94(107)99(93(69)106)50-40-36-32-28-24-20-16-12-8-4)55-71(95)78-58-43-46-61-74-68(92(105)98(89(61)102)49-39-35-31-27-23-19-15-11-7-3)53-64(84(81(58)74)85(65)86(77)78)75(76)62-51-66(90(96)103)72(59)79(56)82(62)83(63)80(57)73;1-5-9-13-17-21-25-29-33-37-49-95-87(99)61-45-41-57-58-42-46-62-74-71(93(105)97(88(62)100)51-39-35-31-27-23-19-15-11-7-3)55-67-78-68-56-72-76-64(90(102)98(94(72)106)52-40-36-32-28-24-20-16-12-8-4)48-44-60-59-43-47-63-75-70(92(104)96(89(63)101)50-38-34-30-26-22-18-14-10-6-2)54-66(85(81(59)75)86(68)82(60)76)77(78)65-53-69(91(95)103)73(61)79(57)83(65)84(67)80(58)74/h41-44,49-54H,5-40,45-48H2,1-4H3;41-46,51-55H,5-40,47-50H2,1-4H3;41-48,53-56H,5-40,49-52H2,1-4H3.

What are the key properties of 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone?

6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone has a molecular weight of 4490.35 g/mol, XLogP of 70.38, 120 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15,17,19(24),20(53),25,27,29,31(36),35(52),37,39,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;6,29-dibromo-10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1(50),2(41),3,5,7,12(54),13,15(40),16,18(27),19(24),20(53),25,28,30,35,37,39(52),42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone;10,22,33,45-tetra(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone is sourced from PubChem (CID 162169774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).