2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene

C50H33B2N5 — CID 165381616

About 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene

2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene (PubChem CID 165381616) has the molecular formula C50H33B2N5 and a molecular weight of 725.47 g/mol. Its IUPAC name is 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
• PubChem CID: 165381616
• Molecular Formula: C50H33B2N5
• Molecular Weight: 725.47 g/mol
• Exact Mass: 725.29
• IUPAC Name: 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
• SMILES: c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2cccc3nccnc23)cc1
• InChI: InChI=1S/C50H33B2N5/c1-4-17-34(18-5-1)51-37-23-10-11-24-38(37)52-39-25-12-13-27-42(39)55(35-19-6-2-7-20-35)50-47(52)40(51)33-46-49(50)56(36-21-8-3-9-22-36)43-28-14-15-29-44(43)57(46)45-30-16-26-41-48(45)54-32-31-53-41/h1-33H
• InChIKey: FLLWYVVGARPSQL-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 35.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.47
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The IUPAC name of 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene (CID 165381616) is 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene.

What is the SMILES notation for 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The canonical SMILES for 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene is c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2cccc3nccnc23)cc1.

What is the InChIKey of 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The InChIKey is FLLWYVVGARPSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33B2N5/c1-4-17-34(18-5-1)51-37-23-10-11-24-38(37)52-39-25-12-13-27-42(39)55(35-19-6-2-7-20-35)50-47(52)40(51)33-46-49(50)56(36-21-8-3-9-22-36)43-28-14-15-29-44(43)57(46)45-30-16-26-41-48(45)54-32-31-53-41/h1-33H.

What are the key properties of 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene has a molecular weight of 725.47 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,16,19-triphenyl-26-quinoxalin-5-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene is sourced from PubChem (CID 165381616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).