2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C49H35N3Si — CID 159195324

About 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 159195324) has the molecular formula C49H35N3Si and a molecular weight of 693.93 g/mol. Its IUPAC name is 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 159195324
• Molecular Formula: C49H35N3Si
• Molecular Weight: 693.93 g/mol
• Exact Mass: 693.26
• IUPAC Name: 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: C[Si]1(C)c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c5ccccc45)n3)c2-c2ccc3ccccc3c21
• InChI: InChI=1S/C49H35N3Si/c1-53(2)44-23-13-22-43(45(44)42-29-28-35-18-9-10-19-38(35)46(42)53)49-51-47(36-26-24-33(25-27-36)32-14-5-3-6-15-32)50-48(52-49)41-31-30-37(34-16-7-4-8-17-34)39-20-11-12-21-40(39)41/h3-31H,1-2H3
• InChIKey: NBZKWZXBKLYQSE-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.93
LogP ≤ 5	11.32
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-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 159195324) is 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is C[Si]1(C)c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c5ccccc45)n3)c2-c2ccc3ccccc3c21.

What is the InChIKey of 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is NBZKWZXBKLYQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3Si/c1-53(2)44-23-13-22-43(45(44)42-29-28-35-18-9-10-19-38(35)46(42)53)49-51-47(36-26-24-33(25-27-36)32-14-5-3-6-15-32)50-48(52-49)41-31-30-37(34-16-7-4-8-17-34)39-20-11-12-21-40(39)41/h3-31H,1-2H3.

What are the key properties of 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 693.93 g/mol, XLogP of 11.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159195324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).