N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine

C50H41NSi2 — CID 162504651

About N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine

N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine (PubChem CID 162504651) has the molecular formula C50H41NSi2 and a molecular weight of 712.06 g/mol. Its IUPAC name is N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine.

Molecular Properties

• Compound Name: N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
• PubChem CID: 162504651
• Molecular Formula: C50H41NSi2
• Molecular Weight: 712.06 g/mol
• Exact Mass: 711.28
• IUPAC Name: N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
• SMILES: C[Si]1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3[Si]4(C)C)cc21
• InChI: InChI=1S/C50H41NSi2/c1-52(2)46-19-11-10-17-44(46)50-45(18-12-20-47(50)52)51(40-26-23-36(24-27-40)34-13-6-5-7-14-34)41-28-30-43-42-29-25-39(32-48(42)53(3,4)49(43)33-41)38-22-21-35-15-8-9-16-37(35)31-38/h5-33H,1-4H3
• InChIKey: LPOJVKSJPMEVHJ-UHFFFAOYSA-N
• XLogP: 11.25
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.06
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?

The IUPAC name of N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine (CID 162504651) is N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine.

What is the SMILES notation for N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?

The canonical SMILES for N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine is C[Si]1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3[Si]4(C)C)cc21.

What is the InChIKey of N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?

The InChIKey is LPOJVKSJPMEVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41NSi2/c1-52(2)46-19-11-10-17-44(46)50-45(18-12-20-47(50)52)51(40-26-23-36(24-27-40)34-13-6-5-7-14-34)41-28-30-43-42-29-25-39(32-48(42)53(3,4)49(43)33-41)38-22-21-35-15-8-9-16-37(35)31-38/h5-33H,1-4H3.

What are the key properties of N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?

N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine has a molecular weight of 712.06 g/mol, XLogP of 11.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 162504651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).