5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene

C48H36B3N3 — CID 132511812

About 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene

5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene (PubChem CID 132511812) has the molecular formula C48H36B3N3 and a molecular weight of 687.27 g/mol. Its IUPAC name is 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene.

Molecular Properties

• Compound Name: 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene
• PubChem CID: 132511812
• Molecular Formula: C48H36B3N3
• Molecular Weight: 687.27 g/mol
• Exact Mass: 687.32
• IUPAC Name: 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene
• SMILES: Cc1ccc2c(c1)B1c3cc(C)ccc3N3c4ccc(C)cc4B4c5cc(C)ccc5N5c6ccc(C)cc6B6c7cc(C)ccc7N2c2c1c3c4c5c26
• InChI: InChI=1S/C48H36B3N3/c1-25-7-13-37-31(19-25)49-32-20-26(2)8-14-38(32)53-40-16-10-28(4)22-34(40)51-36-24-30(6)12-18-42(36)54-41-17-11-29(5)23-35(41)50-33-21-27(3)9-15-39(33)52(37)46-43(49)47(53)45(51)48(54)44(46)50/h7-24H,1-6H3
• InChIKey: ABPPHGYLKBPOMH-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.27
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene?

The IUPAC name of 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene (CID 132511812) is 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene.

What is the SMILES notation for 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene?

The canonical SMILES for 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene is Cc1ccc2c(c1)B1c3cc(C)ccc3N3c4ccc(C)cc4B4c5cc(C)ccc5N5c6ccc(C)cc6B6c7cc(C)ccc7N2c2c1c3c4c5c26.

What is the InChIKey of 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene?

The InChIKey is ABPPHGYLKBPOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36B3N3/c1-25-7-13-37-31(19-25)49-32-20-26(2)8-14-38(32)53-40-16-10-28(4)22-34(40)51-36-24-30(6)12-18-42(36)54-41-17-11-29(5)23-35(41)50-33-21-27(3)9-15-39(33)52(37)46-43(49)47(53)45(51)48(54)44(46)50/h7-24H,1-6H3.

What are the key properties of 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene?

5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene has a molecular weight of 687.27 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,19,25,33,46-hexamethyl-1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,30(35),31,33,37,39,41,43(48),44,46-henicosaene is sourced from PubChem (CID 132511812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).