4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene

C58H39B2N3 — CID 169018569

About 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene

4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene (PubChem CID 169018569) has the molecular formula C58H39B2N3 and a molecular weight of 799.60 g/mol. Its IUPAC name is 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene.

Molecular Properties

• Compound Name: 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene
• PubChem CID: 169018569
• Molecular Formula: C58H39B2N3
• Molecular Weight: 799.60 g/mol
• Exact Mass: 799.33
• IUPAC Name: 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene
• SMILES: C=Cc1ccc(-c2cc3c4c(c2)B2c5ccccc5N(c5ccccc5)c5cc(-c6ccc(C=C)cc6)cc(c52)N4c2cccc4c2B3c2ccccc2N4c2ccccc2)cc1
• InChI: InChI=1S/C58H39B2N3/c1-3-38-26-30-40(31-27-38)42-34-48-58-49(35-42)60-47-21-12-14-23-51(47)62(45-18-9-6-10-19-45)54-36-43(41-32-28-39(4-2)29-33-41)37-55(57(54)60)63(58)53-25-15-24-52-56(53)59(48)46-20-11-13-22-50(46)61(52)44-16-7-5-8-17-44/h3-37H,1-2H2
• InChIKey: NRIAMZDXPAQWJX-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.60
LogP ≤ 5	11.00
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 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene?

The IUPAC name of 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene (CID 169018569) is 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene.

What is the SMILES notation for 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene?

The canonical SMILES for 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene is C=Cc1ccc(-c2cc3c4c(c2)B2c5ccccc5N(c5ccccc5)c5cc(-c6ccc(C=C)cc6)cc(c52)N4c2cccc4c2B3c2ccccc2N4c2ccccc2)cc1.

What is the InChIKey of 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene?

The InChIKey is NRIAMZDXPAQWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39B2N3/c1-3-38-26-30-40(31-27-38)42-34-48-58-49(35-42)60-47-21-12-14-23-51(47)62(45-18-9-6-10-19-45)54-36-43(41-32-28-39(4-2)29-33-41)37-55(57(54)60)63(58)53-25-15-24-52-56(53)59(48)46-20-11-13-22-50(46)61(52)44-16-7-5-8-17-44/h3-37H,1-2H2.

What are the key properties of 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene?

4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene has a molecular weight of 799.60 g/mol, XLogP of 11.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4,17-bis(4-ethenylphenyl)-7,27-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8,10,12,15(33),16,18,21,23,25,28(34),29,31-pentadecaene is sourced from PubChem (CID 169018569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).