N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine

C64H44FN3Si — CID 59720498

About N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine

N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine (PubChem CID 59720498) has the molecular formula C64H44FN3Si and a molecular weight of 902.16 g/mol. Its IUPAC name is N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
• PubChem CID: 59720498
• Molecular Formula: C64H44FN3Si
• Molecular Weight: 902.16 g/mol
• Exact Mass: 901.33
• IUPAC Name: N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
• SMILES: Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4n5-c4ccccc4)c4cccc5ccccc45)ccc32)cc1
• InChI: InChI=1S/C64H44FN3Si/c65-46-32-34-48(35-33-46)68-61-30-16-15-29-56(61)57-42-49(36-39-62(57)68)66(60-31-17-19-45-18-13-14-28-55(45)60)50-37-40-63-58(43-50)59-44-54(38-41-64(59)67(63)47-20-5-1-6-21-47)69(51-22-7-2-8-23-51,52-24-9-3-10-25-52)53-26-11-4-12-27-53/h1-44H
• InChIKey: DUNJUBRSKTVLRS-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.16
LogP ≤ 5	14.02
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 N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine?

The IUPAC name of N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine (CID 59720498) is N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine.

What is the SMILES notation for N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine?

The canonical SMILES for N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4n5-c4ccccc4)c4cccc5ccccc45)ccc32)cc1.

What is the InChIKey of N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine?

The InChIKey is DUNJUBRSKTVLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44FN3Si/c65-46-32-34-48(35-33-46)68-61-30-16-15-29-56(61)57-42-49(36-39-62(57)68)66(60-31-17-19-45-18-13-14-28-55(45)60)50-37-40-63-58(43-50)59-44-54(38-41-64(59)67(63)47-20-5-1-6-21-47)69(51-22-7-2-8-23-51,52-24-9-3-10-25-52)53-26-11-4-12-27-53/h1-44H.

What are the key properties of N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine?

N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine has a molecular weight of 902.16 g/mol, XLogP of 14.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 59720498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).