N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C58H41NSi — CID 140719464

About N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 140719464) has the molecular formula C58H41NSi and a molecular weight of 780.06 g/mol. Its IUPAC name is N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 140719464
• Molecular Formula: C58H41NSi
• Molecular Weight: 780.06 g/mol
• Exact Mass: 779.30
• IUPAC Name: N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4cc6ccccc6cc4-5)cc3)cc2)cc1
• InChI: InChI=1S/C58H41NSi/c1-5-15-42(16-6-1)44-25-32-50(33-26-44)59(51-34-27-45(28-35-51)43-17-7-2-8-18-43)52-36-29-46(30-37-52)49-31-38-55-56-39-47-19-13-14-20-48(47)40-58(56)60(57(55)41-49,53-21-9-3-10-22-53)54-23-11-4-12-24-54/h1-41H
• InChIKey: FEKUIDQBPLGFOT-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.06
LogP ≤ 5	12.67
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-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 140719464) is N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4cc6ccccc6cc4-5)cc3)cc2)cc1.

What is the InChIKey of N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is FEKUIDQBPLGFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NSi/c1-5-15-42(16-6-1)44-25-32-50(33-26-44)59(51-34-27-45(28-35-51)43-17-7-2-8-18-43)52-36-29-46(30-37-52)49-31-38-55-56-39-47-19-13-14-20-48(47)40-58(56)60(57(55)41-49,53-21-9-3-10-22-53)54-23-11-4-12-24-54/h1-41H.

What are the key properties of N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 780.06 g/mol, XLogP of 12.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 140719464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).