2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine

C49H35N3Si — CID 160898852

About 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine

2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 160898852) 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-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 160898852
• Molecular Formula: C49H35N3Si
• Molecular Weight: 693.93 g/mol
• Exact Mass: 693.26
• IUPAC Name: 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: C[Si]1(C)c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2-c2ccc3ccccc3c21
• InChI: InChI=1S/C49H35N3Si/c1-53(2)45-28-26-41(31-44(45)43-27-25-35-14-8-9-18-42(35)46(43)53)49-51-47(50-48(52-49)40-17-10-16-38(30-40)32-11-4-3-5-12-32)36-22-19-34(20-23-36)39-24-21-33-13-6-7-15-37(33)29-39/h3-31H,1-2H3
• InChIKey: UKEQFDSHBCJIMQ-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-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 160898852) is 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is C[Si]1(C)c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2-c2ccc3ccccc3c21.

What is the InChIKey of 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?

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

What are the key properties of 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?

2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-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-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160898852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).