7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene

C52H32B2N2 — CID 169075626

About 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene

7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene (PubChem CID 169075626) has the molecular formula C52H32B2N2 and a molecular weight of 706.47 g/mol. Its IUPAC name is 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene.

Molecular Properties

• Compound Name: 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene
• PubChem CID: 169075626
• Molecular Formula: C52H32B2N2
• Molecular Weight: 706.47 g/mol
• Exact Mass: 706.28
• IUPAC Name: 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene
• SMILES: c1ccc(B2c3ccccc3N(c3ccccc3)c3c2c2cccc4c5c(c6cccc3c6c24)B2c3ccccc3-c3cccc(c32)N5c2ccccc2)cc1
• InChI: InChI=1S/C52H32B2N2/c1-4-17-33(18-5-1)53-43-30-12-13-31-44(43)55(34-19-6-2-7-20-34)51-40-27-15-26-39-47(40)46-38(49(51)53)25-14-28-41(46)52-50(39)54-42-29-11-10-23-36(42)37-24-16-32-45(48(37)54)56(52)35-21-8-3-9-22-35/h1-32H
• InChIKey: HJVBDPUTDNSUEW-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.47
LogP ≤ 5	9.16
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_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene?

The IUPAC name of 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene (CID 169075626) is 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene.

What is the SMILES notation for 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene?

The canonical SMILES for 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene is c1ccc(B2c3ccccc3N(c3ccccc3)c3c2c2cccc4c5c(c6cccc3c6c24)B2c3ccccc3-c3cccc(c32)N5c2ccccc2)cc1.

What is the InChIKey of 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene?

The InChIKey is HJVBDPUTDNSUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32B2N2/c1-4-17-33(18-5-1)53-43-30-12-13-31-44(43)55(34-19-6-2-7-20-34)51-40-27-15-26-39-47(40)46-38(49(51)53)25-14-28-41(46)52-50(39)54-42-29-11-10-23-36(42)37-24-16-32-45(48(37)54)56(52)35-21-8-3-9-22-35/h1-32H.

What are the key properties of 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene?

7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene has a molecular weight of 706.47 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene is sourced from PubChem (CID 169075626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).