N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline

C86H61NSi — CID 158248863

About N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline

N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline (PubChem CID 158248863) has the molecular formula C86H61NSi and a molecular weight of 1136.53 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline
• PubChem CID: 158248863
• Molecular Formula: C86H61NSi
• Molecular Weight: 1136.53 g/mol
• Exact Mass: 1135.46
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline
• SMILES: c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(-c4ccccc4-c4ccccc4N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)cccc3c2-c2ccccc2)cc1
• InChI: InChI=1S/C86H61NSi/c1-8-32-64(33-9-1)82-80-55-30-54-79(86(80)85(67-38-14-4-15-39-67)84(66-36-12-3-13-37-66)83(82)65-34-10-2-11-35-65)77-51-25-24-50-76(77)78-52-26-27-56-81(78)87(68-59-57-63(58-60-68)75-53-28-40-62-31-22-23-49-74(62)75)69-41-29-48-73(61-69)88(70-42-16-5-17-43-70,71-44-18-6-19-45-71)72-46-20-7-21-47-72/h1-61H
• InChIKey: OYDAPNPHZFYRRD-UHFFFAOYSA-N
• XLogP: 20.51
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.53
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline (CID 158248863) is N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(-c4ccccc4-c4ccccc4N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)cccc3c2-c2ccccc2)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline?

The InChIKey is OYDAPNPHZFYRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H61NSi/c1-8-32-64(33-9-1)82-80-55-30-54-79(86(80)85(67-38-14-4-15-39-67)84(66-36-12-3-13-37-66)83(82)65-34-10-2-11-35-65)77-51-25-24-50-76(77)78-52-26-27-56-81(78)87(68-59-57-63(58-60-68)75-53-28-40-62-31-22-23-49-74(62)75)69-41-29-48-73(61-69)88(70-42-16-5-17-43-70,71-44-18-6-19-45-71)72-46-20-7-21-47-72/h1-61H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline?

N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline has a molecular weight of 1136.53 g/mol, XLogP of 20.51, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline is sourced from PubChem (CID 158248863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).