14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene

C204H144B9N3O18 — CID 163535899

About 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene

14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene (PubChem CID 163535899) has the molecular formula C204H144B9N3O18 and a molecular weight of 3028.74 g/mol. Its IUPAC name is 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene.

Molecular Properties

• Compound Name: 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene
• PubChem CID: 163535899
• Molecular Formula: C204H144B9N3O18
• Molecular Weight: 3028.74 g/mol
• Exact Mass: 3028.17
• IUPAC Name: 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene
• SMILES: Cc1cccc(C)c1-c1cc2c3c(c1)Oc1cc4c(cc1B3c1ccccc1O2)B1c2cc3c(cc2Oc2cc(-c5c(C)cccc5C)cc(c21)O4)Oc1cc(-c2c(C)cccc2C)cc2c1B3c1ccccc1O2.[2H]c1c2c3c(c([2H])c1N(c1ccccc1)c1ccccc1)Oc1cc4c(cc1B3c1ccccc1O2)B1c2cc3c(cc2Oc2c([2H])c(N(c5ccccc5)c5ccccc5)c([2H])c(c21)O4)Oc1c([2H])c(N(c2ccccc2)c2ccccc2)c([2H])c2c1B3c1ccccc1O2.c1ccc2c(c1)Oc1cc(C3CCCCC3)cc3c1B2c1cc2c(cc1O3)Oc1cc(C3CCCCC3)cc3c1B2c1cc2c(cc1O3)Oc1cc(C3CCCCC3)cc3c1B2c1ccccc1O3
• InChI: InChI=1S/C78H48B3N3O6.C66H45B3O6.C60H51B3O6/c1-7-23-49(24-8-1)82(50-25-9-2-10-26-50)55-39-70-76-72(41-55)87-66-47-68-62(45-60(66)79(76)58-35-19-21-37-64(58)85-70)81-63-46-61-67(48-69(63)90-75-44-57(43-74(89-68)78(75)81)84(53-31-15-5-16-32-53)54-33-17-6-18-34-54)88-73-42-56(40-71-77(73)80(61)59-36-20-22-38-65(59)86-71)83(51-27-11-3-12-28-51)52-29-13-4-14-30-52;1-34-14-11-15-35(2)61(34)40-24-55-64-57(26-40)72-51-32-53-47(30-45(51)67(64)43-20-7-9-22-49(43)70-55)69-48-31-46-52(33-54(48)75-60-29-42(28-59(74-53)66(60)69)63-38(5)18-13-19-39(63)6)73-58-27-41(62-36(3)16-12-17-37(62)4)25-56-65(58)68(46)44-21-8-10-23-50(44)71-56;1-4-14-34(15-5-1)37-24-52-58-54(26-37)66-48-32-50-44(30-42(48)61(58)40-20-10-12-22-46(40)64-52)63-45-31-43-49(33-51(45)69-57-29-39(28-56(68-50)60(57)63)36-18-8-3-9-19-36)67-55-27-38(35-16-6-2-7-17-35)25-53-59(55)62(43)41-21-11-13-23-47(41)65-53/h1-48H;7-33H,1-6H3;10-13,20-36H,1-9,14-19H2/i39D,40D,41D,42D,43D,44D
• InChIKey: DWXQCMLDKZNKGB-BGDZURQMSA-N
• XLogP: 35.01
• TPSA: 175.86 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3028.74
LogP ≤ 5	35.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene?

The IUPAC name of 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene (CID 163535899) is 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene.

What is the SMILES notation for 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene?

The canonical SMILES for 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene is Cc1cccc(C)c1-c1cc2c3c(c1)Oc1cc4c(cc1B3c1ccccc1O2)B1c2cc3c(cc2Oc2cc(-c5c(C)cccc5C)cc(c21)O4)Oc1cc(-c2c(C)cccc2C)cc2c1B3c1ccccc1O2.[2H]c1c2c3c(c([2H])c1N(c1ccccc1)c1ccccc1)Oc1cc4c(cc1B3c1ccccc1O2)B1c2cc3c(cc2Oc2c([2H])c(N(c5ccccc5)c5ccccc5)c([2H])c(c21)O4)Oc1c([2H])c(N(c2ccccc2)c2ccccc2)c([2H])c2c1B3c1ccccc1O2.c1ccc2c(c1)Oc1cc(C3CCCCC3)cc3c1B2c1cc2c(cc1O3)Oc1cc(C3CCCCC3)cc3c1B2c1cc2c(cc1O3)Oc1cc(C3CCCCC3)cc3c1B2c1ccccc1O3.

What is the InChIKey of 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene?

The InChIKey is DWXQCMLDKZNKGB-BGDZURQMSA-N. The full InChI is InChI=1S/C78H48B3N3O6.C66H45B3O6.C60H51B3O6/c1-7-23-49(24-8-1)82(50-25-9-2-10-26-50)55-39-70-76-72(41-55)87-66-47-68-62(45-60(66)79(76)58-35-19-21-37-64(58)85-70)81-63-46-61-67(48-69(63)90-75-44-57(43-74(89-68)78(75)81)84(53-31-15-5-16-32-53)54-33-17-6-18-34-54)88-73-42-56(40-71-77(73)80(61)59-36-20-22-38-65(59)86-71)83(51-27-11-3-12-28-51)52-29-13-4-14-30-52;1-34-14-11-15-35(2)61(34)40-24-55-64-57(26-40)72-51-32-53-47(30-45(51)67(64)43-20-7-9-22-49(43)70-55)69-48-31-46-52(33-54(48)75-60-29-42(28-59(74-53)66(60)69)63-38(5)18-13-19-39(63)6)73-58-27-41(62-36(3)16-12-17-37(62)4)25-56-65(58)68(46)44-21-8-10-23-50(44)71-56;1-4-14-34(15-5-1)37-24-52-58-54(26-37)66-48-32-50-44(30-42(48)61(58)40-20-10-12-22-46(40)64-52)63-45-31-43-49(33-51(45)69-57-29-39(28-56(68-50)60(57)63)36-18-8-3-9-19-36)67-55-27-38(35-16-6-2-7-17-35)25-53-59(55)62(43)41-21-11-13-23-47(41)65-53/h1-48H;7-33H,1-6H3;10-13,20-36H,1-9,14-19H2/i39D,40D,41D,42D,43D,44D;;.

What are the key properties of 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene?

14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene has a molecular weight of 3028.74 g/mol, XLogP of 35.01, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 14,16,24,26,34,36-hexadeuterio-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;15,25,35-tricyclohexyl-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tris(2,6-dimethylphenyl)-12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene is sourced from PubChem (CID 163535899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).