7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene

C54H37BN2 — CID 174095239

About 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene

7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene (PubChem CID 174095239) has the molecular formula C54H37BN2 and a molecular weight of 724.72 g/mol. Its IUPAC name is 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene.

Molecular Properties

• Compound Name: 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene
• PubChem CID: 174095239
• Molecular Formula: C54H37BN2
• Molecular Weight: 724.72 g/mol
• Exact Mass: 724.30
• IUPAC Name: 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene
• SMILES: Cc1ccc2c(c1)c1cccc3c4cc(C)ccc4c4c5c6c(c2c4c13)-n1c2ccc(C)cc2c2cc(C)cc(c21)B6c1cc(C)cc2c3cc(C)ccc3n-5c12
• InChI: InChI=1S/C54H37BN2/c1-26-10-14-34-36(18-26)32-8-7-9-33-37-19-27(2)11-15-35(37)48-49(46(32)33)47(34)53-50-54(48)57-45-17-13-29(4)21-39(45)41-23-31(6)25-43(52(41)57)55(50)42-24-30(5)22-40-38-20-28(3)12-16-44(38)56(53)51(40)42/h7-25H,1-6H3
• InChIKey: DFHYNFIORJYGQM-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.72
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene?

The IUPAC name of 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene (CID 174095239) is 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene.

What is the SMILES notation for 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene?

The canonical SMILES for 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene is Cc1ccc2c(c1)c1cccc3c4cc(C)ccc4c4c5c6c(c2c4c13)-n1c2ccc(C)cc2c2cc(C)cc(c21)B6c1cc(C)cc2c3cc(C)ccc3n-5c12.

What is the InChIKey of 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene?

The InChIKey is DFHYNFIORJYGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37BN2/c1-26-10-14-34-36(18-26)32-8-7-9-33-37-19-27(2)11-15-35(37)48-49(46(32)33)47(34)53-50-54(48)57-45-17-13-29(4)21-39(45)41-23-31(6)25-43(52(41)57)55(50)42-24-30(5)22-40-38-20-28(3)12-16-44(38)56(53)51(40)42/h7-25H,1-6H3.

What are the key properties of 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene?

7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene has a molecular weight of 724.72 g/mol, XLogP of 12.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,12,18,23,33,43-hexamethyl-3,27-diaza-15-boratetradecacyclo[34.10.2.12,15.13,10.116,20.04,9.021,26.029,47.030,35.040,48.041,46.014,51.027,49.028,50]henpentaconta-1(46),2(50),4(9),5,7,10(51),11,13,16,18,20(49),21(26),22,24,28,30(35),31,33,36,38,40,42,44,47-tetracosaene is sourced from PubChem (CID 174095239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).