2,2,16,19-tetraphenyl-26-(2-phenylphenyl)-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

C60H42BN3Si — CID 165381644

About 2,2,16,19-tetraphenyl-26-(2-phenylphenyl)-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-(2-phenylphenyl)-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 165381644) has the molecular formula C60H42BN3Si and a molecular weight of 843.92 g/mol. Its IUPAC name is 2,2,16,19-tetraphenyl-26-(2-phenylphenyl)-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-(2-phenylphenyl)-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: 165381644
• Molecular Formula: C60H42BN3Si
• Molecular Weight: 843.92 g/mol
• Exact Mass: 843.32
• IUPAC Name: 2,2,16,19-tetraphenyl-26-(2-phenylphenyl)-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(-c2ccccc2N2c3ccccc3N(c3ccccc3)c3c2cc2c4c3N(c3ccccc3)c3ccccc3B4c3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C60H42BN3Si/c1-6-24-43(25-7-1)48-34-16-19-37-51(48)64-54-40-22-21-39-53(54)63(45-28-10-3-11-29-45)59-55(64)42-57-58-60(59)62(44-26-8-2-9-27-44)52-38-20-17-35-49(52)61(58)50-36-18-23-41-56(50)65(57,46-30-12-4-13-31-46)47-32-14-5-15-33-47/h1-42H
• InChIKey: JNMJXIWCKLMKDD-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.92
LogP ≤ 5	10.60
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 2,2,16,19-tetraphenyl-26-(2-phenylphenyl)-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-(2-phenylphenyl)-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 165381644) is 2,2,16,19-tetraphenyl-26-(2-phenylphenyl)-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-(2-phenylphenyl)-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-(2-phenylphenyl)-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(-c2ccccc2N2c3ccccc3N(c3ccccc3)c3c2cc2c4c3N(c3ccccc3)c3ccccc3B4c3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2,2,16,19-tetraphenyl-26-(2-phenylphenyl)-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 JNMJXIWCKLMKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42BN3Si/c1-6-24-43(25-7-1)48-34-16-19-37-51(48)64-54-40-22-21-39-53(54)63(45-28-10-3-11-29-45)59-55(64)42-57-58-60(59)62(44-26-8-2-9-27-44)52-38-20-17-35-49(52)61(58)50-36-18-23-41-56(50)65(57,46-30-12-4-13-31-46)47-32-14-5-15-33-47/h1-42H.

What are the key properties of 2,2,16,19-tetraphenyl-26-(2-phenylphenyl)-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-(2-phenylphenyl)-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 843.92 g/mol, XLogP of 10.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,16,19-tetraphenyl-26-(2-phenylphenyl)-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 165381644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).