9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine

C66H45F2N3OSi — CID 59720542

About 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine

9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine (PubChem CID 59720542) has the molecular formula C66H45F2N3OSi and a molecular weight of 962.19 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

• Compound Name: 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
• PubChem CID: 59720542
• Molecular Formula: C66H45F2N3OSi
• Molecular Weight: 962.19 g/mol
• Exact Mass: 961.33
• IUPAC Name: 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
• SMILES: Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(Oc5ccccc5)cc4)c4ccc5c(c4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4n5-c4ccc(F)cc4)ccc32)cc1
• InChI: InChI=1S/C66H45F2N3OSi/c67-46-25-29-49(30-26-46)70-63-24-14-13-23-59(63)60-43-51(35-40-64(60)70)69(48-33-37-54(38-34-48)72-53-15-5-1-6-16-53)52-36-41-65-61(44-52)62-45-58(39-42-66(62)71(65)50-31-27-47(68)28-32-50)73(55-17-7-2-8-18-55,56-19-9-3-10-20-56)57-21-11-4-12-22-57/h1-45H
• InChIKey: QWVPVODXKGOBLF-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 22.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.19
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine?

The IUPAC name of 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine (CID 59720542) is 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine.

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

The canonical SMILES for 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(Oc5ccccc5)cc4)c4ccc5c(c4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4n5-c4ccc(F)cc4)ccc32)cc1.

What is the InChIKey of 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine?

The InChIKey is QWVPVODXKGOBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45F2N3OSi/c67-46-25-29-49(30-26-46)70-63-24-14-13-23-59(63)60-43-51(35-40-64(60)70)69(48-33-37-54(38-34-48)72-53-15-5-1-6-16-53)52-36-41-65-61(44-52)62-45-58(39-42-66(62)71(65)50-31-27-47(68)28-32-50)73(55-17-7-2-8-18-55,56-19-9-3-10-20-56)57-21-11-4-12-22-57/h1-45H.

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

9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine has a molecular weight of 962.19 g/mol, XLogP of 14.80, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 59720542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).