2,2,16-triphenyl-26-(3-pyridin-4-ylphenyl)-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

C53H36BN3OSi — CID 165381551

About 2,2,16-triphenyl-26-(3-pyridin-4-ylphenyl)-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-(3-pyridin-4-ylphenyl)-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 165381551) has the molecular formula C53H36BN3OSi and a molecular weight of 769.79 g/mol. Its IUPAC name is 2,2,16-triphenyl-26-(3-pyridin-4-ylphenyl)-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-(3-pyridin-4-ylphenyl)-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: 165381551
• Molecular Formula: C53H36BN3OSi
• Molecular Weight: 769.79 g/mol
• Exact Mass: 769.27
• IUPAC Name: 2,2,16-triphenyl-26-(3-pyridin-4-ylphenyl)-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)Oc2ccccc2N5c2cccc(-c3ccncc3)c2)cc1
• InChI: InChI=1S/C53H36BN3OSi/c1-4-18-39(19-5-1)57-45-27-12-10-25-43(45)54-44-26-11-15-30-49(44)59(41-21-6-2-7-22-41,42-23-8-3-9-24-42)50-36-47-53(52(57)51(50)54)58-48-29-14-13-28-46(48)56(47)40-20-16-17-38(35-40)37-31-33-55-34-32-37/h1-36H
• InChIKey: SYWVDUBPRWPBEU-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.79
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-(3-pyridin-4-ylphenyl)-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-(3-pyridin-4-ylphenyl)-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 165381551) is 2,2,16-triphenyl-26-(3-pyridin-4-ylphenyl)-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-(3-pyridin-4-ylphenyl)-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-(3-pyridin-4-ylphenyl)-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)Oc2ccccc2N5c2cccc(-c3ccncc3)c2)cc1.

What is the InChIKey of 2,2,16-triphenyl-26-(3-pyridin-4-ylphenyl)-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 SYWVDUBPRWPBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36BN3OSi/c1-4-18-39(19-5-1)57-45-27-12-10-25-43(45)54-44-26-11-15-30-49(44)59(41-21-6-2-7-22-41,42-23-8-3-9-24-42)50-36-47-53(52(57)51(50)54)58-48-29-14-13-28-46(48)56(47)40-20-16-17-38(35-40)37-31-33-55-34-32-37/h1-36H.

What are the key properties of 2,2,16-triphenyl-26-(3-pyridin-4-ylphenyl)-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-(3-pyridin-4-ylphenyl)-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 769.79 g/mol, XLogP of 8.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,16-triphenyl-26-(3-pyridin-4-ylphenyl)-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 165381551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).