9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine

C₆₀H₄₃FN₂OSi — CID 59720588

About 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine

9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine (PubChem CID 59720588) has the molecular formula C₆₀H₄₃FN₂OSi and a molecular weight of 855.10 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
• PubChem CID: 59720588
• Molecular Formula: C₆₀H₄₃FN₂OSi
• Molecular Weight: 855.10 g/mol
• Exact Mass: 854.31
• IUPAC Name: 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
• SMILES: Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(Oc5ccccc5)cc4)c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1
• InChI: InChI=1S/C60H43FN2OSi/c61-46-29-33-49(34-30-46)63-59-24-14-13-23-57(59)58-43-50(37-42-60(58)63)62(48-35-38-52(39-36-48)64-51-15-5-1-6-16-51)47-31-25-44(26-32-47)45-27-40-56(41-28-45)65(53-17-7-2-8-18-53,54-19-9-3-10-20-54)55-21-11-4-12-22-55/h1-43H
• InChIKey: RGAZWIAPAFCMRK-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.10
LogP ≤ 5	13.23
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-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?

The IUPAC name of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine (CID 59720588) is 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine.

What is the SMILES notation for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?

The canonical SMILES for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(Oc5ccccc5)cc4)c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1.

What is the InChIKey of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?

The InChIKey is RGAZWIAPAFCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43FN2OSi/c61-46-29-33-49(34-30-46)63-59-24-14-13-23-57(59)58-43-50(37-42-60(58)63)62(48-35-38-52(39-36-48)64-51-15-5-1-6-16-51)47-31-25-44(26-32-47)45-27-40-56(41-28-45)65(53-17-7-2-8-18-53,54-19-9-3-10-20-54)55-21-11-4-12-22-55/h1-43H.

What are the key properties of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?

9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine has a molecular weight of 855.10 g/mol, XLogP of 13.23, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 59720588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59720588 — identifiers, structure, computed properties (public domain)

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