N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine

C71H46N2 — CID 135166879

About N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine

N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 135166879) has the molecular formula C71H46N2 and a molecular weight of 927.16 g/mol. Its IUPAC name is N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine
• PubChem CID: 135166879
• Molecular Formula: C71H46N2
• Molecular Weight: 927.16 g/mol
• Exact Mass: 926.37
• IUPAC Name: N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc4-c4c(N(c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5-c5ccccc5-c5cccc6ccccc56)cccc43)c3ccccc32)cc1
• InChI: InChI=1S/C71H46N2/c1-2-24-48(25-3-1)72-67-41-18-15-37-63(67)71(64-38-16-19-42-68(64)72)62-36-14-12-34-60(62)70-65(71)39-21-43-69(70)73(49-44-45-58-55-30-7-6-28-53(55)54-29-9-11-32-57(54)61(58)46-49)66-40-17-13-33-59(66)56-31-10-8-27-52(56)51-35-20-23-47-22-4-5-26-50(47)51/h1-46H
• InChIKey: FULGTBHLGNMYHU-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.16
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine?

The IUPAC name of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine (CID 135166879) is N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine.

What is the SMILES notation for N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine?

The canonical SMILES for N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine is c1ccc(N2c3ccccc3C3(c4ccccc4-c4c(N(c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5-c5ccccc5-c5cccc6ccccc56)cccc43)c3ccccc32)cc1.

What is the InChIKey of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine?

The InChIKey is FULGTBHLGNMYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N2/c1-2-24-48(25-3-1)72-67-41-18-15-37-63(67)71(64-38-16-19-42-68(64)72)62-36-14-12-34-60(62)70-65(71)39-21-43-69(70)73(49-44-45-58-55-30-7-6-28-53(55)54-29-9-11-32-57(54)61(58)46-49)66-40-17-13-33-59(66)56-31-10-8-27-52(56)51-35-20-23-47-22-4-5-26-50(47)51/h1-46H.

What are the key properties of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine?

N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine has a molecular weight of 927.16 g/mol, XLogP of 19.25, 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-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 135166879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).