22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene

C200H104B4N8O2S2 — CID 157352710

About 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene

22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene (PubChem CID 157352710) has the molecular formula C200H104B4N8O2S2 and a molecular weight of 2758.47 g/mol. Its IUPAC name is 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene.

Molecular Properties

• Compound Name: 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene
• PubChem CID: 157352710
• Molecular Formula: C200H104B4N8O2S2
• Molecular Weight: 2758.47 g/mol
• Exact Mass: 2756.81
• IUPAC Name: 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene
• SMILES: c1cc2c3c(c1)-c1ccc4ccc5cccc6cc(c1c4c56)N3c1cc3ccccc3c3c1B2c1cccc2c1N3c1cc3cccc4ccc5ccc-2c1c5c43.c1ccc2c(c1)Oc1c3c(cc4ccccc14)B1c4cc5ccccc5c5c4N(c4ccccc4O5)c4c1c(cc1ccccc41)N23.c1ccc2c(c1)Sc1c3c(cc4ccccc14)B1c4cc5ccccc5c5c4N(c4ccccc4S5)c4c1c(cc1ccccc41)N23.c1ccc2c3c4c(cc2c1)-n1c2cc5ccc6cccc7ccc(c5c67)c2c2c5ccccc5cc(c21)B4c1cc2ccccc2c2c4c5ccc6cccc7ccc(cc4n-3c12)c5c76
• InChI: InChI=1S/C62H31BN2.C54H27BN2.C42H23BN2O2.C42H23BN2S2/c1-4-16-41-36(9-1)27-46-61-57(41)55-44-25-23-34-14-7-12-32-19-21-39(53(44)51(32)34)30-48(55)64(61)50-29-38-11-3-6-18-43(38)60-59(50)63(46)47-28-37-10-2-5-17-42(37)58-56-45-26-24-35-15-8-13-33-20-22-40(54(45)52(33)35)31-49(56)65(60)62(47)58;1-2-12-35-32(7-1)25-44-51-54(35)57-43-27-34-11-4-9-29-18-20-31-22-24-37(50(43)48(31)46(29)34)39-14-6-16-41(53(39)57)55(51)40-15-5-13-38-36-23-21-30-19-17-28-8-3-10-33-26-42(56(44)52(38)40)49(36)47(30)45(28)33;2*1-4-14-27-26(13-1)23-34-37-38(27)45-33-18-8-10-20-36(33)47-42-29-16-6-3-12-25(29)22-31(40(42)45)43(37)30-21-24-11-2-5-15-28(24)41-39(30)44(34)32-17-7-9-19-35(32)46-41/h1-31H;1-27H;2*1-23H
• InChIKey: BHSLLGJJOPTQLF-UHFFFAOYSA-N
• XLogP: 46.55
• TPSA: 47.76 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2758.47
LogP ≤ 5	46.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene?

The IUPAC name of 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene (CID 157352710) is 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene.

What is the SMILES notation for 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene?

The canonical SMILES for 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene is c1cc2c3c(c1)-c1ccc4ccc5cccc6cc(c1c4c56)N3c1cc3ccccc3c3c1B2c1cccc2c1N3c1cc3cccc4ccc5ccc-2c1c5c43.c1ccc2c(c1)Oc1c3c(cc4ccccc14)B1c4cc5ccccc5c5c4N(c4ccccc4O5)c4c1c(cc1ccccc41)N23.c1ccc2c(c1)Sc1c3c(cc4ccccc14)B1c4cc5ccccc5c5c4N(c4ccccc4S5)c4c1c(cc1ccccc41)N23.c1ccc2c3c4c(cc2c1)-n1c2cc5ccc6cccc7ccc(c5c67)c2c2c5ccccc5cc(c21)B4c1cc2ccccc2c2c4c5ccc6cccc7ccc(cc4n-3c12)c5c76.

What is the InChIKey of 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene?

The InChIKey is BHSLLGJJOPTQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H31BN2.C54H27BN2.C42H23BN2O2.C42H23BN2S2/c1-4-16-41-36(9-1)27-46-61-57(41)55-44-25-23-34-14-7-12-32-19-21-39(53(44)51(32)34)30-48(55)64(61)50-29-38-11-3-6-18-43(38)60-59(50)63(46)47-28-37-10-2-5-17-42(37)58-56-45-26-24-35-15-8-13-33-20-22-40(54(45)52(33)35)31-49(56)65(60)62(47)58;1-2-12-35-32(7-1)25-44-51-54(35)57-43-27-34-11-4-9-29-18-20-31-22-24-37(50(43)48(31)46(29)34)39-14-6-16-41(53(39)57)55(51)40-15-5-13-38-36-23-21-30-19-17-28-8-3-10-33-26-42(56(44)52(38)40)49(36)47(30)45(28)33;2*1-4-14-27-26(13-1)23-34-37-38(27)45-33-18-8-10-20-36(33)47-42-29-16-6-3-12-25(29)22-31(40(42)45)43(37)30-21-24-11-2-5-15-28(24)41-39(30)44(34)32-17-7-9-19-35(32)46-41/h1-31H;1-27H;2*1-23H.

What are the key properties of 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene?

22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene has a molecular weight of 2758.47 g/mol, XLogP of 46.55, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 22,32-diaza-1-borahexadecacyclo[29.21.1.12,22.117,21.132,48.133,37.07,20.010,19.013,18.023,53.024,29.034,47.035,44.036,41.06,56.052,54]heptapentaconta-2(56),3,5,7(20),8,10(19),11,13(18),14,16,21(57),23(53),24,26,28,30,33(55),34(47),35(44),36(41),37,39,42,45,48,50,52(54)-heptacosaene;36,46-diaza-12-boraoctadecacyclo[50.6.2.223,26.13,46.112,37.113,36.02,47.04,9.015,20.022,35.024,33.025,30.038,43.049,59.056,60.011,61.021,63.045,62]pentahexaconta-1(59),2(47),3(61),4,6,8,10,13,15,17,19,21(63),22(35),23,25(30),26,28,31,33,37(62),38,40,42,44,48,50,52(60),53,55,57,64-hentriacontaene;11,35-dioxa-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene;11,35-dithia-18,28-diaza-1-boradodecacyclo[25.17.1.12,10.128,36.04,9.012,17.019,45.020,25.029,34.037,42.018,47.044,46]heptatetraconta-2,4,6,8,10(47),12,14,16,19(45),20,22,24,26,29,31,33,36(46),37,39,41,43-henicosaene is sourced from PubChem (CID 157352710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).