N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine

C78H50N2 — CID 135166724

About N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine

N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 135166724) has the molecular formula C78H50N2 and a molecular weight of 1015.27 g/mol. Its IUPAC name is N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
• PubChem CID: 135166724
• Molecular Formula: C78H50N2
• Molecular Weight: 1015.27 g/mol
• Exact Mass: 1014.40
• IUPAC Name: N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccccc5-c5ccccc5-c5cccc6ccccc56)cc43)c3ccccc32)cc1
• InChI: InChI=1S/C78H50N2/c1-2-25-52(26-3-1)80-75-43-20-17-40-70(75)78(71-41-18-21-44-76(71)80)69-39-16-11-33-62(69)64-48-46-54(50-73(64)78)79(74-42-19-12-34-65(74)58-29-7-6-28-57(58)56-35-22-24-51-23-4-5-27-55(51)56)53-45-47-63-61-32-10-15-38-68(61)77(72(63)49-53)66-36-13-8-30-59(66)60-31-9-14-37-67(60)77/h1-50H
• InChIKey: OOSYOOKTOWUIJF-UHFFFAOYSA-N
• XLogP: 20.13
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.27
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine?

The IUPAC name of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine (CID 135166724) is N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine.

What is the SMILES notation for N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine?

The canonical SMILES for N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccccc5-c5ccccc5-c5cccc6ccccc56)cc43)c3ccccc32)cc1.

What is the InChIKey of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine?

The InChIKey is OOSYOOKTOWUIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N2/c1-2-25-52(26-3-1)80-75-43-20-17-40-70(75)78(71-41-18-21-44-76(71)80)69-39-16-11-33-62(69)64-48-46-54(50-73(64)78)79(74-42-19-12-34-65(74)58-29-7-6-28-57(58)56-35-22-24-51-23-4-5-27-55(51)56)53-45-47-63-61-32-10-15-38-68(61)77(72(63)49-53)66-36-13-8-30-59(66)60-31-9-14-37-67(60)77/h1-50H.

What are the key properties of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine?

N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 1015.27 g/mol, XLogP of 20.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 135166724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).