11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene

C232H150B4N16 — CID 157421245

About 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene

11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene (PubChem CID 157421245) has the molecular formula C232H150B4N16 and a molecular weight of 3205.11 g/mol. Its IUPAC name is 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene.

Molecular Properties

• Compound Name: 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene
• PubChem CID: 157421245
• Molecular Formula: C232H150B4N16
• Molecular Weight: 3205.11 g/mol
• Exact Mass: 3203.26
• IUPAC Name: 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene
• SMILES: CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)C(C)(C)c1cccc2c1N3c1cccc3c1B2c1cccc2c1N3c1cc3c(cc1C2(C)C)C(C)(C)c1ccccc1N3c1ccccc1.c1ccc(-n2c3ccccc3c3c2ccc2c4cccc5c4n(c23)-c2cccc3c2B5c2cccc4c5ccc6c7ccccc7n(-c7ccccc7)c6c5n-3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c5cccc6c5n(c4cc32)-c2cccc3c2B6c2cccc4c5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5n-3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c5cccc6c5n(c4cc32)-c2cccc3c2B6c2cccc4c5ccc6c(c7ccccc7n6-c6ccccc6)c5n-3c24)cc1
• InChI: InChI=1S/C66H55BN4.C58H33BN4.2C54H31BN4/c1-63(2)42-26-15-17-32-52(42)68(40-22-11-9-12-23-40)56-38-58-48(36-46(56)63)65(5,6)44-28-19-30-50-61(44)70(58)54-34-21-35-55-60(54)67(50)51-31-20-29-45-62(51)71(55)59-39-57-47(37-49(59)66(45,7)8)64(3,4)43-27-16-18-33-53(43)69(57)41-24-13-10-14-25-41;1-3-16-34(17-4-1)60-46-28-11-9-20-36(46)42-32-43-39-24-13-26-44-55(39)62(51(43)33-50(42)60)48-30-15-31-49-54(48)59(44)45-27-14-25-41-52-37-21-7-8-22-38(37)57-53(58(52)63(49)56(41)45)40-23-10-12-29-47(40)61(57)35-18-5-2-6-19-35;1-3-14-32(15-4-1)56-44-25-10-8-19-38(44)50-45(56)29-28-37-35-20-11-23-42-53(35)59(54(37)50)47-27-13-26-46-51(47)55(42)41-22-12-21-36-40-30-39-34-18-7-9-24-43(34)57(33-16-5-2-6-17-33)48(39)31-49(40)58(46)52(36)41;1-3-14-32(15-4-1)56-44-25-10-8-19-40(44)48-45(56)31-30-38-35-20-11-22-41-50(35)58(52(38)48)46-26-13-27-47-49(46)55(41)42-23-12-21-36-39-29-28-37-34-18-7-9-24-43(34)57(33-16-5-2-6-17-33)53(37)54(39)59(47)51(36)42/h9-39H,1-8H3;1-33H;2*1-31H
• InChIKey: BPKWAKNNLASUHV-UHFFFAOYSA-N
• XLogP: 50.07
• TPSA: 72.12 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3205.11
LogP ≤ 5	50.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene?

The IUPAC name of 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene (CID 157421245) is 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene.

What is the SMILES notation for 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene?

The canonical SMILES for 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene is CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)C(C)(C)c1cccc2c1N3c1cccc3c1B2c1cccc2c1N3c1cc3c(cc1C2(C)C)C(C)(C)c1ccccc1N3c1ccccc1.c1ccc(-n2c3ccccc3c3c2ccc2c4cccc5c4n(c23)-c2cccc3c2B5c2cccc4c5ccc6c7ccccc7n(-c7ccccc7)c6c5n-3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c5cccc6c5n(c4cc32)-c2cccc3c2B6c2cccc4c5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5n-3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c5cccc6c5n(c4cc32)-c2cccc3c2B6c2cccc4c5ccc6c(c7ccccc7n6-c6ccccc6)c5n-3c24)cc1.

What is the InChIKey of 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene?

The InChIKey is BPKWAKNNLASUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H55BN4.C58H33BN4.2C54H31BN4/c1-63(2)42-26-15-17-32-52(42)68(40-22-11-9-12-23-40)56-38-58-48(36-46(56)63)65(5,6)44-28-19-30-50-61(44)70(58)54-34-21-35-55-60(54)67(50)51-31-20-29-45-62(51)71(55)59-39-57-47(37-49(59)66(45,7)8)64(3,4)43-27-16-18-33-53(43)69(57)41-24-13-10-14-25-41;1-3-16-34(17-4-1)60-46-28-11-9-20-36(46)42-32-43-39-24-13-26-44-55(39)62(51(43)33-50(42)60)48-30-15-31-49-54(48)59(44)45-27-14-25-41-52-37-21-7-8-22-38(37)57-53(58(52)63(49)56(41)45)40-23-10-12-29-47(40)61(57)35-18-5-2-6-19-35;1-3-14-32(15-4-1)56-44-25-10-8-19-38(44)50-45(56)29-28-37-35-20-11-23-42-53(35)59(54(37)50)47-27-13-26-46-51(47)55(42)41-22-12-21-36-40-30-39-34-18-7-9-24-43(34)57(33-16-5-2-6-17-33)48(39)31-49(40)58(46)52(36)41;1-3-14-32(15-4-1)56-44-25-10-8-19-40(44)48-45(56)31-30-38-35-20-11-22-41-50(35)58(52(38)48)46-26-13-27-47-49(46)55(41)42-23-12-21-36-39-29-28-37-34-18-7-9-24-43(34)57(33-16-5-2-6-17-33)53(37)54(39)59(47)51(36)42/h9-39H,1-8H3;1-33H;2*1-31H.

What are the key properties of 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene?

11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene has a molecular weight of 3205.11 g/mol, XLogP of 50.07, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 11,40-diphenyl-2,11,40,44-tetraza-25-boratetradecacyclo[23.23.1.12,20.126,30.03,19.04,12.05,10.013,18.031,43.033,41.034,39.045,49.024,51.044,50]henpentaconta-1(48),3(19),4(12),5,7,9,13,15,17,20,22,24(51),26(50),27,29,31(43),32,34,36,38,41,45(49),46-tricosaene;16,35-diphenyl-16,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;17,35-diphenyl-17,20,26,35-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.010,18.011,16.021,45.027,39.028,36.029,34.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10(18),11,13,15,21,23,25(45),27(39),28(36),29,31,33,37,40,42,44(46)-henicosaene;7,7,11,11,39,39,43,43-octamethyl-18,32-diphenyl-18,22,28,32-tetraza-1-boratridecacyclo[25.21.1.12,6.128,44.08,21.010,19.012,17.023,49.029,42.031,40.033,38.022,51.048,50]henpentaconta-2(51),3,5,8(21),9,12,14,16,19,23(49),24,26,29(42),30,33,35,37,40,44,46,48(50)-henicosaene is sourced from PubChem (CID 157421245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).