9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine

C54H49NSi2 — CID 123205402

About 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine (PubChem CID 123205402) has the molecular formula C54H49NSi2 and a molecular weight of 768.17 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine
• PubChem CID: 123205402
• Molecular Formula: C54H49NSi2
• Molecular Weight: 768.17 g/mol
• Exact Mass: 767.34
• IUPAC Name: 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21
• InChI: InChI=1S/C54H49NSi2/c1-54(2)52-24-16-15-23-50(52)51-38-33-44(39-53(51)54)55(42-29-25-40(26-30-42)41-27-34-45(35-28-41)56(3,4)5)43-31-36-49(37-32-43)57(46-17-9-6-10-18-46,47-19-11-7-12-20-47)48-21-13-8-14-22-48/h6-39H,1-5H3
• InChIKey: KBSUMHPYHHUGKU-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.17
LogP ≤ 5	11.05
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 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine (CID 123205402) is 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine?

The InChIKey is KBSUMHPYHHUGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49NSi2/c1-54(2)52-24-16-15-23-50(52)51-38-33-44(39-53(51)54)55(42-29-25-40(26-30-42)41-27-34-45(35-28-41)56(3,4)5)43-31-36-49(37-32-43)57(46-17-9-6-10-18-46,47-19-11-7-12-20-47)48-21-13-8-14-22-48/h6-39H,1-5H3.

What are the key properties of 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine has a molecular weight of 768.17 g/mol, XLogP of 11.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine is sourced from PubChem (CID 123205402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).