60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine

C251H125B9F8N12O14S3 — CID 163432292

About 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine

60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine (PubChem CID 163432292) has the molecular formula C251H125B9F8N12O14S3 and a molecular weight of 3878.32 g/mol. Its IUPAC name is 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine.

Molecular Properties

• Compound Name: 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine
• PubChem CID: 163432292
• Molecular Formula: C251H125B9F8N12O14S3
• Molecular Weight: 3878.32 g/mol
• Exact Mass: 3876.93
• IUPAC Name: 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine
• SMILES: CN1c2cc3c(cc2B2c4ccccc4Oc4c2c1c1c2ccccc2n2c5ccccc5c4c12)B1c2cc4c(cc2Oc2c1c(c1c5ccccc5n5c6ccccc6c2c15)O3)Oc1c2c(c3c5ccccc5n5c6ccccc6c1c35)Oc1ccccc1B42.Fc1cccc(F)c1N(c1ccccc1)c1cc2c3c(c1)Sc1c(sc4ccccc14)B3c1cc3c(cc1O2)Oc1cc(N(c2ccccc2)c2ccccc2)cc2c1B3c1cc3c(cc1O2)N(c1c(F)cccc1F)c1cc(N(c2ccccc2)c2c(F)cccc2F)cc2c1B3c1sc3ccccc3c1O2.Fc1cccc(F)c1N1c2cc3c(cc2B2c4ccccc4Oc4c2c1c1c2ccccc2n2c5ccccc5c4c12)B1c2cc4c(cc2Oc2c1c(c1c5ccccc5n5c6ccccc6c2c15)O3)Oc1c2c(c3c5ccccc5n5c6ccccc6c1c35)Oc1ccccc1B42
• InChI: InChI=1S/C88H47B3F6N4O4S3.C84H39B3F2N4O5.C79H39B3N4O5/c92-61-30-17-31-62(93)82(61)99(50-24-9-3-10-25-50)52-38-68-79-72(39-52)105-85-55-28-13-15-36-76(55)107-87(85)90(79)57-44-58-69(46-67(57)101(68)84-65(96)34-19-35-66(84)97)102-73-40-53(98(48-20-5-1-6-21-48)49-22-7-2-8-23-49)41-74-80(73)89(58)59-45-60-71(47-70(59)103-74)104-75-42-54(100(51-26-11-4-12-27-51)83-63(94)32-18-33-64(83)95)43-78-81(75)91(60)88-86(106-78)56-29-14-16-37-77(56)108-88;88-52-26-17-27-53(89)75(52)93-60-38-63-49(36-48(60)85-46-24-7-15-34-61(46)94-80-67-41-19-2-10-29-55(41)90-54-28-9-1-18-40(54)66(76(67)90)79(93)72(80)85)87-51-37-50-64(39-65(51)98-84-71-45-23-6-14-33-59(45)92-58-32-13-5-22-44(58)70(78(71)92)83(96-63)74(84)87)97-82-69-43-21-4-12-31-57(43)91-56-30-11-3-20-42(56)68(77(69)91)81-73(82)86(50)47-25-8-16-35-62(47)95-81;1-83-56-36-59-47(34-46(56)80-44-24-8-16-32-57(44)87-75-63-39-19-3-11-27-51(39)84-50-26-10-2-18-38(50)62(71(63)84)74(83)68(75)80)82-49-35-48-60(37-61(49)91-79-67-43-23-7-15-31-55(43)86-54-30-14-6-22-42(54)66(73(67)86)78(89-59)70(79)82)90-77-65-41-21-5-13-29-53(41)85-52-28-12-4-20-40(52)64(72(65)85)76-69(77)81(48)45-25-9-17-33-58(45)88-76/h1-47H;1-39H;2-37H,1H3
• InChIKey: AROJRUCRRKFZHX-UHFFFAOYSA-N
• XLogP: 48.15
• TPSA: 175.12 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 297
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3878.32
LogP ≤ 5	48.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine?

The IUPAC name of 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine (CID 163432292) is 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine.

What is the SMILES notation for 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine?

The canonical SMILES for 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine is CN1c2cc3c(cc2B2c4ccccc4Oc4c2c1c1c2ccccc2n2c5ccccc5c4c12)B1c2cc4c(cc2Oc2c1c(c1c5ccccc5n5c6ccccc6c2c15)O3)Oc1c2c(c3c5ccccc5n5c6ccccc6c1c35)Oc1ccccc1B42.Fc1cccc(F)c1N(c1ccccc1)c1cc2c3c(c1)Sc1c(sc4ccccc14)B3c1cc3c(cc1O2)Oc1cc(N(c2ccccc2)c2ccccc2)cc2c1B3c1cc3c(cc1O2)N(c1c(F)cccc1F)c1cc(N(c2ccccc2)c2c(F)cccc2F)cc2c1B3c1sc3ccccc3c1O2.Fc1cccc(F)c1N1c2cc3c(cc2B2c4ccccc4Oc4c2c1c1c2ccccc2n2c5ccccc5c4c12)B1c2cc4c(cc2Oc2c1c(c1c5ccccc5n5c6ccccc6c2c15)O3)Oc1c2c(c3c5ccccc5n5c6ccccc6c1c35)Oc1ccccc1B42.

What is the InChIKey of 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine?

The InChIKey is AROJRUCRRKFZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H47B3F6N4O4S3.C84H39B3F2N4O5.C79H39B3N4O5/c92-61-30-17-31-62(93)82(61)99(50-24-9-3-10-25-50)52-38-68-79-72(39-52)105-85-55-28-13-15-36-76(55)107-87(85)90(79)57-44-58-69(46-67(57)101(68)84-65(96)34-19-35-66(84)97)102-73-40-53(98(48-20-5-1-6-21-48)49-22-7-2-8-23-49)41-74-80(73)89(58)59-45-60-71(47-70(59)103-74)104-75-42-54(100(51-26-11-4-12-27-51)83-63(94)32-18-33-64(83)95)43-78-81(75)91(60)88-86(106-78)56-29-14-16-37-77(56)108-88;88-52-26-17-27-53(89)75(52)93-60-38-63-49(36-48(60)85-46-24-7-15-34-61(46)94-80-67-41-19-2-10-29-55(41)90-54-28-9-1-18-40(54)66(76(67)90)79(93)72(80)85)87-51-37-50-64(39-65(51)98-84-71-45-23-6-14-33-59(45)92-58-32-13-5-22-44(58)70(78(71)92)83(96-63)74(84)87)97-82-69-43-21-4-12-31-57(43)91-56-30-11-3-20-42(56)68(77(69)91)81-73(82)86(50)47-25-8-16-35-62(47)95-81;1-83-56-36-59-47(34-46(56)80-44-24-8-16-32-57(44)87-75-63-39-19-3-11-27-51(39)84-50-26-10-2-18-38(50)62(71(63)84)74(83)68(75)80)82-49-35-48-60(37-61(49)91-79-67-43-23-7-15-31-55(43)86-54-30-14-6-22-42(54)66(73(67)86)78(89-59)70(79)82)90-77-65-41-21-5-13-29-53(41)85-52-28-12-4-20-40(52)64(72(65)85)76-69(77)81(48)45-25-9-17-33-58(45)88-76/h1-47H;1-39H;2-37H,1H3.

What are the key properties of 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine?

60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine has a molecular weight of 3878.32 g/mol, XLogP of 48.15, 11 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 60-(2,6-difluorophenyl)-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;60-methyl-16,34,38,56,78-pentaoxa-25,47,60,69-tetraza-1,5,9-triborapentacosacyclo[59.23.1.15,39.19,17.118,25.140,47.162,69.02,59.04,57.06,37.08,35.010,15.019,24.026,31.041,46.048,53.063,68.070,75.077,85.079,84.032,89.033,90.054,87.055,88.076,86]nonaconta-2,4(57),6(37),7,10,12,14,17(90),18(89),19,21,23,26,28,30,32,35,39,41,43,45,48,50,52,54(87),55(88),58,61(85),62(86),63,65,67,70,72,74,76,79,81,83-nonatriacontaene;18-N,38-N,21-tris(2,6-difluorophenyl)-18-N,28-N,28-N,38-N-tetraphenyl-15,25,31,35-tetraoxa-7,41,49-trithia-21-aza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26(55),27,29,32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine is sourced from PubChem (CID 163432292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).