9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine

C₅₈H₄₁FN₂OSi — CID 59720544

About 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine

9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine (PubChem CID 59720544) has the molecular formula C₅₈H₄₁FN₂OSi and a molecular weight of 829.06 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

• Compound Name: 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
• PubChem CID: 59720544
• Molecular Formula: C₅₈H₄₁FN₂OSi
• Molecular Weight: 829.06 g/mol
• Exact Mass: 828.30
• IUPAC Name: 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
• SMILES: Fc1ccc(-n2c3ccc(N(c4ccc(Oc5ccccc5)cc4)c4ccc5ccccc5c4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C58H41FN2OSi/c59-44-26-29-46(30-27-44)61-57-37-33-48(60(47-28-25-42-15-13-14-16-43(42)39-47)45-31-34-50(35-32-45)62-49-17-5-1-6-18-49)40-55(57)56-41-54(36-38-58(56)61)63(51-19-7-2-8-20-51,52-21-9-3-10-22-52)53-23-11-4-12-24-53/h1-41H
• InChIKey: SZVGNMUWCRYJKW-UHFFFAOYSA-N
• XLogP: 12.72
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.06
LogP ≤ 5	12.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine?

The IUPAC name of 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine (CID 59720544) is 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine.

What is the SMILES notation for 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine?

The canonical SMILES for 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine is Fc1ccc(-n2c3ccc(N(c4ccc(Oc5ccccc5)cc4)c4ccc5ccccc5c4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.

What is the InChIKey of 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine?

The InChIKey is SZVGNMUWCRYJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41FN2OSi/c59-44-26-29-46(30-27-44)61-57-37-33-48(60(47-28-25-42-15-13-14-16-43(42)39-47)45-31-34-50(35-32-45)62-49-17-5-1-6-18-49)40-55(57)56-41-54(36-38-58(56)61)63(51-19-7-2-8-20-51,52-21-9-3-10-22-52)53-23-11-4-12-24-53/h1-41H.

What are the key properties of 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine?

9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine has a molecular weight of 829.06 g/mol, XLogP of 12.72, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 59720544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59720544 — identifiers, structure, computed properties (public domain)

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