9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene

C203H136B8N10O4S2 — CID 159562138

About 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene

9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene (PubChem CID 159562138) has the molecular formula C203H136B8N10O4S2 and a molecular weight of 2930.02 g/mol. Its IUPAC name is 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene.

Molecular Properties

• Compound Name: 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene
• PubChem CID: 159562138
• Molecular Formula: C203H136B8N10O4S2
• Molecular Weight: 2930.02 g/mol
• Exact Mass: 2929.09
• IUPAC Name: 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene
• SMILES: CC(C)c1c2c(cc3c1Sc1cc(C(C)C)c4c5ccccc5n5c4c1B3c1ccccc1-5)B1c3ccccc3-n3c4ccccc4c4c(C(C)C)cc(c1c43)O2.CC(C)c1c2c(cc3c1Sc1ccc4c5ccccc5n5c4c1B3c1ccccc1-5)B1c3ccccc3-n3c4ccccc4c4ccc(c1c43)O2.CC(C)c1ccc2c(c1)-n1c3ccccc3c3ccc4c(c31)B2c1cc2c(cc1N4c1ccccc1)Oc1ccc3c4ccccc4n4c3c1B2c1ccc(-c2ccccc2)cc1-4.Cc1ccc2c(c1)-n1c3ccccc3c3ccc4c(c31)B2c1cc2c(cc1O4)N(c1ccccc1)c1ccc3c4ccccc4n4c3c1B2c1ccc(C)cc1-4
• InChI: InChI=1S/C57H37B2N3O.C51H40B2N2OS.C50H31B2N3O.C45H28B2N2OS/c1-33(2)35-21-25-42-49(29-35)61-46-19-11-9-17-38(46)40-23-27-48-54(56(40)61)58(42)44-31-45-53(32-51(44)60(48)37-15-7-4-8-16-37)63-52-28-24-41-39-18-10-12-20-47(39)62-50-30-36(34-13-5-3-6-14-34)22-26-43(50)59(45)55(52)57(41)62;1-26(2)31-23-41-46-48-44(31)29-15-7-11-19-37(29)54(48)39-21-13-9-17-33(39)52(46)35-25-36-51(43(28(5)6)50(35)56-41)57-42-24-32(27(3)4)45-30-16-8-12-20-38(30)55-40-22-14-10-18-34(40)53(36)47(42)49(45)55;1-28-16-20-35-42(24-28)54-39-14-8-6-12-31(39)33-18-22-41-47(49(33)54)51(35)37-26-38-46(27-44(37)53(41)30-10-4-3-5-11-30)56-45-23-19-34-32-13-7-9-15-40(32)55-43-25-29(2)17-21-36(43)52(38)48(45)50(34)55;1-24(2)39-44-31(46-29-13-5-9-17-35(29)48-33-15-7-3-11-25(33)27-19-21-37(50-44)40(46)42(27)48)23-32-45(39)51-38-22-20-28-26-12-4-8-16-34(26)49-36-18-10-6-14-30(36)47(32)41(38)43(28)49/h3-33H,1-2H3;7-28H,1-6H3;3-27H,1-2H3;3-24H,1-2H3
• InChIKey: MGTGJXNSSUXJRM-UHFFFAOYSA-N
• XLogP: 34.98
• TPSA: 82.84 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2930.02
LogP ≤ 5	34.98
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 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene?

The IUPAC name of 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene (CID 159562138) is 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene.

What is the SMILES notation for 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene?

The canonical SMILES for 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene is CC(C)c1c2c(cc3c1Sc1cc(C(C)C)c4c5ccccc5n5c4c1B3c1ccccc1-5)B1c3ccccc3-n3c4ccccc4c4c(C(C)C)cc(c1c43)O2.CC(C)c1c2c(cc3c1Sc1ccc4c5ccccc5n5c4c1B3c1ccccc1-5)B1c3ccccc3-n3c4ccccc4c4ccc(c1c43)O2.CC(C)c1ccc2c(c1)-n1c3ccccc3c3ccc4c(c31)B2c1cc2c(cc1N4c1ccccc1)Oc1ccc3c4ccccc4n4c3c1B2c1ccc(-c2ccccc2)cc1-4.Cc1ccc2c(c1)-n1c3ccccc3c3ccc4c(c31)B2c1cc2c(cc1O4)N(c1ccccc1)c1ccc3c4ccccc4n4c3c1B2c1ccc(C)cc1-4.

What is the InChIKey of 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene?

The InChIKey is MGTGJXNSSUXJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37B2N3O.C51H40B2N2OS.C50H31B2N3O.C45H28B2N2OS/c1-33(2)35-21-25-42-49(29-35)61-46-19-11-9-17-38(46)40-23-27-48-54(56(40)61)58(42)44-31-45-53(32-51(44)60(48)37-15-7-4-8-16-37)63-52-28-24-41-39-18-10-12-20-47(39)62-50-30-36(34-13-5-3-6-14-34)22-26-43(50)59(45)55(52)57(41)62;1-26(2)31-23-41-46-48-44(31)29-15-7-11-19-37(29)54(48)39-21-13-9-17-33(39)52(46)35-25-36-51(43(28(5)6)50(35)56-41)57-42-24-32(27(3)4)45-30-16-8-12-20-38(30)55-40-22-14-10-18-34(40)53(36)47(42)49(45)55;1-28-16-20-35-42(24-28)54-39-14-8-6-12-31(39)33-18-22-41-47(49(33)54)51(35)37-26-38-46(27-44(37)53(41)30-10-4-3-5-11-30)56-45-23-19-34-32-13-7-9-15-40(32)55-43-25-29(2)17-21-36(43)52(38)48(45)50(34)55;1-24(2)39-44-31(46-29-13-5-9-17-35(29)48-33-15-7-3-11-25(33)27-19-21-37(50-44)40(46)42(27)48)23-32-45(39)51-38-22-20-28-26-12-4-8-16-34(26)49-36-18-10-6-14-30(36)47(32)41(38)43(28)49/h3-33H,1-2H3;7-28H,1-6H3;3-27H,1-2H3;3-24H,1-2H3.

What are the key properties of 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene?

9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene has a molecular weight of 2930.02 g/mol, XLogP of 34.98, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9,41-dimethyl-27-phenyl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;9,27-diphenyl-41-propan-2-yl-23-oxa-12,27,38-triaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2,4(24),6(11),7,9,13,15,17,19,21,25,28(45),29,31(46),32,34,36,39(44),40,42,47-henicosaene;25-propan-2-yl-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene;25,30,48-tri(propan-2-yl)-23-oxa-27-thia-12,38-diaza-1,5-diboratridecacyclo[29.13.2.219,22.02,26.04,24.05,21.06,11.012,20.013,18.028,45.032,37.038,46.039,44]octatetraconta-2(26),3,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43,47-henicosaene is sourced from PubChem (CID 159562138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).