5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene

C176H100B8N14O6 — CID 163881903

About 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene

5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene (PubChem CID 163881903) has the molecular formula C176H100B8N14O6 and a molecular weight of 2593.32 g/mol. Its IUPAC name is 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene.

Molecular Properties

• Compound Name: 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene
• PubChem CID: 163881903
• Molecular Formula: C176H100B8N14O6
• Molecular Weight: 2593.32 g/mol
• Exact Mass: 2592.87
• IUPAC Name: 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene
• SMILES: c1ccc(N2c3cc4c(nc3B3c5c2cccc5-n2c5ccccc5c5cccc3c52)Oc2cccc3c2B4c2ccccc2O3)cc1.c1ccc(N2c3cc4c(nc3B3c5ccccc5Oc5cccc2c53)Oc2cccc3c2B4c2cccc4c5ccccc5n-3c24)cc1.c1ccc(N2c3cccc4c3B(c3cc5c(nc32)B2c3c(cccc3-n3c6ccccc6c6cccc2c63)O5)c2cccc3c5ccccc5n-4c23)cc1.c1ccc(N2c3ccccc3B3c4cc5c(nc4N(c4ccccc4)c4cccc2c43)B2c3c(cccc3-n3c4ccccc4c4cccc2c43)O5)cc1
• InChI: InChI=1S/C47H26B2N4O.C47H28B2N4O.2C41H23B2N3O2/c1-2-12-27(13-3-1)51-37-22-10-23-38-42(37)48(32-18-8-16-30-28-14-4-6-20-35(28)52(38)44(30)32)34-26-41-46(50-47(34)51)49-33-19-9-17-31-29-15-5-7-21-36(29)53(45(31)33)39-24-11-25-40(54-41)43(39)49;1-3-14-29(15-4-1)51-37-23-10-8-20-33(37)48-35-28-42-46(50-47(35)52(30-16-5-2-6-17-30)39-25-12-24-38(51)43(39)48)49-34-21-11-19-32-31-18-7-9-22-36(31)53(45(32)34)40-26-13-27-41(54-42)44(40)49;1-2-11-24(12-3-1)45-31-18-9-21-35-38(31)43(27-15-5-7-20-34(27)47-35)40-33(45)23-29-41(44-40)48-36-22-10-19-32-37(36)42(29)28-16-8-14-26-25-13-4-6-17-30(25)46(32)39(26)28;1-2-11-24(12-3-1)45-31-18-9-19-32-37(31)43(28-16-8-14-26-25-13-4-6-17-30(25)46(32)39(26)28)40-33(45)23-29-41(44-40)48-36-22-10-21-35-38(36)42(29)27-15-5-7-20-34(27)47-35/h1-26H;1-28H;2*1-23H
• InChIKey: PTYRAGUPOPXFPC-UHFFFAOYSA-N
• XLogP: 25.06
• TPSA: 147.79 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 5
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2593.32
LogP ≤ 5	25.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene?

The IUPAC name of 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene (CID 163881903) is 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene.

What is the SMILES notation for 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene?

The canonical SMILES for 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene is c1ccc(N2c3cc4c(nc3B3c5c2cccc5-n2c5ccccc5c5cccc3c52)Oc2cccc3c2B4c2ccccc2O3)cc1.c1ccc(N2c3cc4c(nc3B3c5ccccc5Oc5cccc2c53)Oc2cccc3c2B4c2cccc4c5ccccc5n-3c24)cc1.c1ccc(N2c3cccc4c3B(c3cc5c(nc32)B2c3c(cccc3-n3c6ccccc6c6cccc2c63)O5)c2cccc3c5ccccc5n-4c23)cc1.c1ccc(N2c3ccccc3B3c4cc5c(nc4N(c4ccccc4)c4cccc2c43)B2c3c(cccc3-n3c4ccccc4c4cccc2c43)O5)cc1.

What is the InChIKey of 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene?

The InChIKey is PTYRAGUPOPXFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26B2N4O.C47H28B2N4O.2C41H23B2N3O2/c1-2-12-27(13-3-1)51-37-22-10-23-38-42(37)48(32-18-8-16-30-28-14-4-6-20-35(28)52(38)44(30)32)34-26-41-46(50-47(34)51)49-33-19-9-17-31-29-15-5-7-21-36(29)53(45(31)33)39-24-11-25-40(54-41)43(39)49;1-3-14-29(15-4-1)51-37-23-10-8-20-33(37)48-35-28-42-46(50-47(35)52(30-16-5-2-6-17-30)39-25-12-24-38(51)43(39)48)49-34-21-11-19-32-31-18-7-9-22-36(31)53(45(32)34)40-26-13-27-41(54-42)44(40)49;1-2-11-24(12-3-1)45-31-18-9-21-35-38(31)43(27-15-5-7-20-34(27)47-35)40-33(45)23-29-41(44-40)48-36-22-10-19-32-37(36)42(29)28-16-8-14-26-25-13-4-6-17-30(25)46(32)39(26)28;1-2-11-24(12-3-1)45-31-18-9-19-32-37(31)43(28-16-8-14-26-25-13-4-6-17-30(25)46(32)39(26)28)40-33(45)23-29-41(44-40)48-36-22-10-21-35-38(36)42(29)27-15-5-7-20-34(27)47-35/h1-26H;1-28H;2*1-23H.

What are the key properties of 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene?

5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene has a molecular weight of 2593.32 g/mol, XLogP of 25.06, 5 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11-diphenyl-22-oxa-3,5,11,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-11,22-dioxa-5,20,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2,4(19),6(42),7,9,12,14,16,20,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;22-phenyl-5,11-dioxa-3,22,28-triaza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene;5-phenyl-27-oxa-3,5,11,33-tetraza-1,23-diboratridecacyclo[26.16.1.16,10.111,18.133,40.02,26.04,24.012,17.032,45.034,39.022,47.023,48.044,46]octatetraconta-2(26),3,6,8,10(48),12,14,16,18,20,22(47),24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene is sourced from PubChem (CID 163881903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).