N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine

C56H44FN — CID 123512775

About N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine

N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine (PubChem CID 123512775) has the molecular formula C56H44FN and a molecular weight of 749.97 g/mol. Its IUPAC name is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine
• PubChem CID: 123512775
• Molecular Formula: C56H44FN
• Molecular Weight: 749.97 g/mol
• Exact Mass: 749.35
• IUPAC Name: N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine
• SMILES: CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(C=Cc3ccc4cc(N(c5ccccc5)c5c(F)cc(-c6ccccc6)cc5-c5ccccc5)ccc4c3)ccc12
• InChI: InChI=1S/C56H44FN/c1-55(2)49-23-15-14-22-46(49)52-53(55)47-31-27-38(33-50(47)56(52,3)4)25-24-37-26-28-42-34-45(30-29-41(42)32-37)58(44-20-12-7-13-21-44)54-48(40-18-10-6-11-19-40)35-43(36-51(54)57)39-16-8-5-9-17-39/h5-36H,1-4H3
• InChIKey: YCJUGTVESCMOKU-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.97
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine?

The IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine (CID 123512775) is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine.

What is the SMILES notation for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine?

The canonical SMILES for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine is CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(C=Cc3ccc4cc(N(c5ccccc5)c5c(F)cc(-c6ccccc6)cc5-c5ccccc5)ccc4c3)ccc12.

What is the InChIKey of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine?

The InChIKey is YCJUGTVESCMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44FN/c1-55(2)49-23-15-14-22-46(49)52-53(55)47-31-27-38(33-50(47)56(52,3)4)25-24-37-26-28-42-34-45(30-29-41(42)32-37)58(44-20-12-7-13-21-44)54-48(40-18-10-6-11-19-40)35-43(36-51(54)57)39-16-8-5-9-17-39/h5-36H,1-4H3.

What are the key properties of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine?

N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine has a molecular weight of 749.97 g/mol, XLogP of 15.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine is sourced from PubChem (CID 123512775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).