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

C50H33BN4OSi — CID 165381754

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

2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene (PubChem CID 165381754) has the molecular formula C50H33BN4OSi and a molecular weight of 744.74 g/mol. Its IUPAC name is 2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene.

Molecular Properties

• Compound Name: 2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
• PubChem CID: 165381754
• Molecular Formula: C50H33BN4OSi
• Molecular Weight: 744.74 g/mol
• Exact Mass: 744.25
• IUPAC Name: 2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
• SMILES: c1ccc(N2c3ccccc3B3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4cc5c(c2c43)Oc2ccccc2N5c2cccc3nccnc23)cc1
• InChI: InChI=1S/C50H33BN4OSi/c1-4-17-34(18-5-1)54-40-26-12-10-23-37(40)51-38-24-11-15-30-45(38)57(35-19-6-2-7-20-35,36-21-8-3-9-22-36)46-33-43-50(49(54)47(46)51)56-44-29-14-13-27-41(44)55(43)42-28-16-25-39-48(42)53-32-31-52-39/h1-33H
• InChIKey: PIGCPCJZRKQUEE-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.74
LogP ≤ 5	7.20
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 2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene?

The IUPAC name of 2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene (CID 165381754) is 2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene.

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

The canonical SMILES for 2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene is c1ccc(N2c3ccccc3B3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4cc5c(c2c43)Oc2ccccc2N5c2cccc3nccnc23)cc1.

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

The InChIKey is PIGCPCJZRKQUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33BN4OSi/c1-4-17-34(18-5-1)54-40-26-12-10-23-37(40)51-38-24-11-15-30-45(38)57(35-19-6-2-7-20-35,36-21-8-3-9-22-36)46-33-43-50(49(54)47(46)51)56-44-29-14-13-27-41(44)55(43)42-28-16-25-39-48(42)53-32-31-52-39/h1-33H.

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

2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene has a molecular weight of 744.74 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene is sourced from PubChem (CID 165381754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).