9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine

C61H69NSi — CID 123293356

About 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine

9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine (PubChem CID 123293356) has the molecular formula C61H69NSi and a molecular weight of 844.32 g/mol. Its IUPAC name is 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine
• PubChem CID: 123293356
• Molecular Formula: C61H69NSi
• Molecular Weight: 844.32 g/mol
• Exact Mass: 843.52
• IUPAC Name: 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine
• SMILES: CCCCCC[Si](CCCCCC)(CCCCCC)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
• InChI: InChI=1S/C61H69NSi/c1-4-7-10-24-45-63(46-25-11-8-5-2,47-26-12-9-6-3)56-42-39-54(40-43-56)62(53-37-35-50(36-38-53)49-27-16-13-17-28-49)55-41-44-58-57-33-22-23-34-59(57)61(60(58)48-55,51-29-18-14-19-30-51)52-31-20-15-21-32-52/h13-23,27-44,48H,4-12,24-26,45-47H2,1-3H3
• InChIKey: GQPHTFOLDFJNRF-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 22
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.32
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine (CID 123293356) is 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine is CCCCCC[Si](CCCCCC)(CCCCCC)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.

What is the InChIKey of 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine?

The InChIKey is GQPHTFOLDFJNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H69NSi/c1-4-7-10-24-45-63(46-25-11-8-5-2,47-26-12-9-6-3)56-42-39-54(40-43-56)62(53-37-35-50(36-38-53)49-27-16-13-17-28-49)55-41-44-58-57-33-22-23-34-59(57)61(60(58)48-55,51-29-18-14-19-30-51)52-31-20-15-21-32-52/h13-23,27-44,48H,4-12,24-26,45-47H2,1-3H3.

What are the key properties of 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine?

9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine has a molecular weight of 844.32 g/mol, XLogP of 17.58, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-N-(4-phenylphenyl)-N-(4-trihexylsilylphenyl)fluoren-2-amine is sourced from PubChem (CID 123293356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).