N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline

C57H48N2Si — CID 165066954

About N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline

N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline (PubChem CID 165066954) has the molecular formula C57H48N2Si and a molecular weight of 789.11 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline.

Molecular Properties

• Compound Name: N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
• PubChem CID: 165066954
• Molecular Formula: C57H48N2Si
• Molecular Weight: 789.11 g/mol
• Exact Mass: 788.36
• IUPAC Name: N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
• SMILES: C[Si](C)(C)c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)c2)cc1
• InChI: InChI=1S/C57H48N2Si/c1-60(2,3)57-40-32-49(33-41-57)50-16-13-21-56(42-50)59(52-19-11-6-12-20-52)55-38-30-48(31-39-55)45-24-22-44(23-25-45)47-28-36-54(37-29-47)58(51-17-9-5-10-18-51)53-34-26-46(27-35-53)43-14-7-4-8-15-43/h4-42H,1-3H3
• InChIKey: AOSGZMBXVPICSJ-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.11
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline?

The IUPAC name of N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline (CID 165066954) is N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline.

What is the SMILES notation for N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline?

The canonical SMILES for N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline is C[Si](C)(C)c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)c2)cc1.

What is the InChIKey of N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline?

The InChIKey is AOSGZMBXVPICSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2Si/c1-60(2,3)57-40-32-49(33-41-57)50-16-13-21-56(42-50)59(52-19-11-6-12-20-52)55-38-30-48(31-39-55)45-24-22-44(23-25-45)47-28-36-54(37-29-47)58(51-17-9-5-10-18-51)53-34-26-46(27-35-53)43-14-7-4-8-15-43/h4-42H,1-3H3.

What are the key properties of N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline?

N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline has a molecular weight of 789.11 g/mol, XLogP of 15.84, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline is sourced from PubChem (CID 165066954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).