6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine

C58H40BN3 — CID 174094103

About 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine

6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine (PubChem CID 174094103) has the molecular formula C58H40BN3 and a molecular weight of 789.79 g/mol. Its IUPAC name is 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine.

Molecular Properties

• Compound Name: 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine
• PubChem CID: 174094103
• Molecular Formula: C58H40BN3
• Molecular Weight: 789.79 g/mol
• Exact Mass: 789.33
• IUPAC Name: 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine
• SMILES: Cc1ccc2c(c1)c1cc(C)cc3c1n2-c1cc2c4ccc(N(c5ccccc5)c5ccccc5)cc4c4ccccc4c2c2c1B3c1cc(C)cc3c4cc(C)ccc4n-2c13
• InChI: InChI=1S/C58H40BN3/c1-33-19-23-51-44(25-33)47-27-35(3)29-49-56(47)61(51)53-32-46-41-22-21-39(60(37-13-7-5-8-14-37)38-15-9-6-10-16-38)31-43(41)40-17-11-12-18-42(40)54(46)58-55(53)59(49)50-30-36(4)28-48-45-26-34(2)20-24-52(45)62(58)57(48)50/h5-32H,1-4H3
• InChIKey: OOTJGJWDSNSWSL-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.79
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine?

The IUPAC name of 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine (CID 174094103) is 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine.

What is the SMILES notation for 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine?

The canonical SMILES for 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine is Cc1ccc2c(c1)c1cc(C)cc3c1n2-c1cc2c4ccc(N(c5ccccc5)c5ccccc5)cc4c4ccccc4c2c2c1B3c1cc(C)cc3c4cc(C)ccc4n-2c13.

What is the InChIKey of 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine?

The InChIKey is OOTJGJWDSNSWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40BN3/c1-33-19-23-51-44(25-33)47-27-35(3)29-49-56(47)61(51)53-32-46-41-22-21-39(60(37-13-7-5-8-14-37)38-15-9-6-10-16-38)31-43(41)40-17-11-12-18-42(40)54(46)58-55(53)59(49)50-30-36(4)28-48-45-26-34(2)20-24-52(45)62(58)57(48)50/h5-32H,1-4H3.

What are the key properties of 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine?

6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine has a molecular weight of 789.79 g/mol, XLogP of 13.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine is sourced from PubChem (CID 174094103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).