2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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

C53H37BN4Si — CID 165381495

About 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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

2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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 165381495) has the molecular formula C53H37BN4Si and a molecular weight of 768.81 g/mol. Its IUPAC name is 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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: 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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: 165381495
• Molecular Formula: C53H37BN4Si
• Molecular Weight: 768.81 g/mol
• Exact Mass: 768.29
• IUPAC Name: 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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(N2c3ccccc3N(c3cccnc3)c3cc4c5c(c32)N(c2ccccc2)c2ccccc2B5c2ccccc2[Si]4(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C53H37BN4Si/c1-5-20-38(21-6-1)57-45-31-15-13-29-43(45)54-44-30-14-18-34-49(44)59(41-25-9-3-10-26-41,42-27-11-4-12-28-42)50-36-48-52(53(57)51(50)54)58(39-22-7-2-8-23-39)47-33-17-16-32-46(47)56(48)40-24-19-35-55-37-40/h1-37H
• InChIKey: SIECPMVGUFMQKP-UHFFFAOYSA-N
• XLogP: 8.32
• TPSA: 22.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.81
LogP ≤ 5	8.32
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 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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 165381495) is 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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(N2c3ccccc3N(c3cccnc3)c3cc4c5c(c32)N(c2ccccc2)c2ccccc2B5c2ccccc2[Si]4(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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 SIECPMVGUFMQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37BN4Si/c1-5-20-38(21-6-1)57-45-31-15-13-29-43(45)54-44-30-14-18-34-49(44)59(41-25-9-3-10-26-41,42-27-11-4-12-28-42)50-36-48-52(53(57)51(50)54)58(39-22-7-2-8-23-39)47-33-17-16-32-46(47)56(48)40-24-19-35-55-37-40/h1-37H.

What are the key properties of 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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?

2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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 768.81 g/mol, XLogP of 8.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-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 165381495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).