N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline

C63H49NSi — CID 123165581

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline (PubChem CID 123165581) has the molecular formula C63H49NSi and a molecular weight of 848.18 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
• PubChem CID: 123165581
• Molecular Formula: C63H49NSi
• Molecular Weight: 848.18 g/mol
• Exact Mass: 847.36
• IUPAC Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc21
• InChI: InChI=1S/C63H49NSi/c1-63(2)61-26-16-15-25-59(61)60-44-35-51(45-62(60)63)50-31-40-54(41-32-50)64(52-36-27-47(28-37-52)46-17-7-3-8-18-46)53-38-29-48(30-39-53)49-33-42-58(43-34-49)65(55-19-9-4-10-20-55,56-21-11-5-12-22-56)57-23-13-6-14-24-57/h3-45H,1-2H3
• InChIKey: OSYIYTPUEBYIIW-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.18
LogP ≤ 5	13.84
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-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline?

The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline (CID 123165581) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline.

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline?

The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc21.

What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline?

The InChIKey is OSYIYTPUEBYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49NSi/c1-63(2)61-26-16-15-25-59(61)60-44-35-51(45-62(60)63)50-31-40-54(41-32-50)64(52-36-27-47(28-37-52)46-17-7-3-8-18-46)53-38-29-48(30-39-53)49-33-42-58(43-34-49)65(55-19-9-4-10-20-55,56-21-11-5-12-22-56)57-23-13-6-14-24-57/h3-45H,1-2H3.

What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline?

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline has a molecular weight of 848.18 g/mol, XLogP of 13.84, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline is sourced from PubChem (CID 123165581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).