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

C69H46N2 — CID 135166717

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

N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 135166717) has the molecular formula C69H46N2 and a molecular weight of 903.14 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
• PubChem CID: 135166717
• Molecular Formula: C69H46N2
• Molecular Weight: 903.14 g/mol
• Exact Mass: 902.37
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5ccccc5-c5cccc6ccccc56)cc43)c3ccccc32)cc1
• InChI: InChI=1S/C69H46N2/c1-2-24-50(25-3-1)71-67-38-16-13-35-63(67)69(64-36-14-17-39-68(64)71)62-34-12-10-30-59(62)60-45-44-52(46-65(60)69)70(51-42-40-49(41-43-51)54-32-18-22-47-20-4-6-26-53(47)54)66-37-15-11-31-61(66)58-29-9-8-28-57(58)56-33-19-23-48-21-5-7-27-55(48)56/h1-46H
• InChIKey: IBIBMBKMKKDFEJ-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.14
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (CID 135166717) is N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.

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

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5ccccc5-c5cccc6ccccc56)cc43)c3ccccc32)cc1.

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

The InChIKey is IBIBMBKMKKDFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2/c1-2-24-50(25-3-1)71-67-38-16-13-35-63(67)69(64-36-14-17-39-68(64)71)62-34-12-10-30-59(62)60-45-44-52(46-65(60)69)70(51-42-40-49(41-43-51)54-32-18-22-47-20-4-6-26-53(47)54)66-37-15-11-31-61(66)58-29-9-8-28-57(58)56-33-19-23-48-21-5-7-27-55(48)56/h1-46H.

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

N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 903.14 g/mol, XLogP of 18.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 135166717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).