18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine

C82H60B3N7O2 — CID 163421815

About 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine

18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine (PubChem CID 163421815) has the molecular formula C82H60B3N7O2 and a molecular weight of 1207.87 g/mol. Its IUPAC name is 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine.

Molecular Properties

• Compound Name: 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine
• PubChem CID: 163421815
• Molecular Formula: C82H60B3N7O2
• Molecular Weight: 1207.87 g/mol
• Exact Mass: 1207.51
• IUPAC Name: 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine
• SMILES: CN1c2cc3c(cc2B2c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)cc1c42)B1c2cc4c(cc2N(C)c2cc(N(c5ccccc5)c5ccccc5)cc(c21)N3C)N(C)c1cc(N(c2ccccc2)c2ccccc2)cc2c1B4c1ccccc1O2
• InChI: InChI=1S/C82H60B3N7O2/c1-86-70-51-68-64(83-62-39-23-25-41-76(62)93-78-47-60(45-74(81(78)83)88(68)3)91(55-31-15-7-16-32-55)56-33-17-8-18-34-56)49-66(70)85-67-50-65-69(52-71(67)87(2)73-44-59(43-72(86)80(73)85)90(53-27-11-5-12-28-53)54-29-13-6-14-30-54)89(4)75-46-61(48-79-82(75)84(65)63-40-24-26-42-77(63)94-79)92(57-35-19-9-20-36-57)58-37-21-10-22-38-58/h5-52H,1-4H3
• InChIKey: RZWMWNJJHRCAAX-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 41.14 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1207.87
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine?

The IUPAC name of 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine (CID 163421815) is 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine.

What is the SMILES notation for 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine?

The canonical SMILES for 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine is CN1c2cc3c(cc2B2c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)cc1c42)B1c2cc4c(cc2N(C)c2cc(N(c5ccccc5)c5ccccc5)cc(c21)N3C)N(C)c1cc(N(c2ccccc2)c2ccccc2)cc2c1B4c1ccccc1O2.

What is the InChIKey of 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine?

The InChIKey is RZWMWNJJHRCAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H60B3N7O2/c1-86-70-51-68-64(83-62-39-23-25-41-76(62)93-78-47-60(45-74(81(78)83)88(68)3)91(55-31-15-7-16-32-55)56-33-17-8-18-34-56)49-66(70)85-67-50-65-69(52-71(67)87(2)73-44-59(43-72(86)80(73)85)90(53-27-11-5-12-28-53)54-29-13-6-14-30-54)89(4)75-46-61(48-79-82(75)84(65)63-40-24-26-42-77(63)94-79)92(57-35-19-9-20-36-57)58-37-21-10-22-38-58/h5-52H,1-4H3.

What are the key properties of 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine?

18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine has a molecular weight of 1207.87 g/mol, XLogP of 14.18, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 18,22,28,32-tetramethyl-15-N,15-N,25-N,25-N,35-N,35-N-hexakis-phenyl-12,38-dioxa-18,22,28,32-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine is sourced from PubChem (CID 163421815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).