N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline

C71H53N — CID 170118198

About N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline (PubChem CID 170118198) has the molecular formula C71H53N and a molecular weight of 920.21 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
• PubChem CID: 170118198
• Molecular Formula: C71H53N
• Molecular Weight: 920.21 g/mol
• Exact Mass: 919.42
• IUPAC Name: N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C71H53N/c1-2-15-52(16-3-1)61-20-6-7-21-62(61)63-22-8-9-23-64(63)67-25-11-13-28-70(67)72(57-40-34-50(35-41-57)49-30-32-54(33-31-49)60-26-14-18-53-17-4-5-19-59(53)60)58-42-36-51(37-43-58)55-38-44-66-65-24-10-12-27-68(65)71(69(66)46-55)47-48-29-39-56(71)45-48/h1-28,30-38,40-44,46,48,56H,29,39,45,47H2
• InChIKey: RYNANBSHDUZMLJ-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.21
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline?

The IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline (CID 170118198) is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline.

What is the SMILES notation for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline?

The canonical SMILES for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)cc2)cc1.

What is the InChIKey of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline?

The InChIKey is RYNANBSHDUZMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H53N/c1-2-15-52(16-3-1)61-20-6-7-21-62(61)63-22-8-9-23-64(63)67-25-11-13-28-70(67)72(57-40-34-50(35-41-57)49-30-32-54(33-31-49)60-26-14-18-53-17-4-5-19-59(53)60)58-42-36-51(37-43-58)55-38-44-66-65-24-10-12-27-68(65)71(69(66)46-55)47-48-29-39-56(71)45-48/h1-28,30-38,40-44,46,48,56H,29,39,45,47H2.

What are the key properties of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline?

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline has a molecular weight of 920.21 g/mol, XLogP of 19.40, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline is sourced from PubChem (CID 170118198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).