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

C50H41NSi2 — CID 162504602

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

N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine (PubChem CID 162504602) 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-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine.

Molecular Properties

• Compound Name: N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine
• PubChem CID: 162504602
• Molecular Formula: C50H41NSi2
• Molecular Weight: 712.06 g/mol
• Exact Mass: 711.28
• IUPAC Name: N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine
• SMILES: C[Si]1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3[Si](C)(C)c3ccccc3-4)cc21
• InChI: InChI=1S/C50H41NSi2/c1-52(2)48-32-39(38-25-24-35-16-8-9-17-36(35)30-38)26-28-43(48)44-29-27-41(33-49(44)52)51(40-19-12-18-37(31-40)34-14-6-5-7-15-34)46-22-13-21-45-42-20-10-11-23-47(42)53(3,4)50(45)46/h5-33H,1-4H3
• InChIKey: BAGBOQDHMOSNGS-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-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine?

The IUPAC name of N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine (CID 162504602) is N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine.

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

The canonical SMILES for N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine is C[Si]1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3[Si](C)(C)c3ccccc3-4)cc21.

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

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

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

N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-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-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 162504602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).