N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C71H54N2 — CID 58058868

About N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 58058868) has the molecular formula C71H54N2 and a molecular weight of 935.23 g/mol. Its IUPAC name is N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 58058868
• Molecular Formula: C71H54N2
• Molecular Weight: 935.23 g/mol
• Exact Mass: 934.43
• IUPAC Name: N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: C1=CC2CC1CC2c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C71H54N2/c1-3-10-51(11-4-1)54-24-36-63(37-25-54)72(64-38-26-55(27-39-64)52-12-5-2-6-13-52)65-42-30-57(31-43-65)58-32-44-67(45-33-58)73(68-46-34-60(35-47-68)70-17-9-15-59-14-7-8-16-69(59)70)66-40-28-56(29-41-66)53-20-22-61(23-21-53)71-49-50-18-19-62(71)48-50/h1-47,50,62,71H,48-49H2
• InChIKey: LAPGSUATLGSKNF-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.23
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 58058868) is N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is C1=CC2CC1CC2c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is LAPGSUATLGSKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H54N2/c1-3-10-51(11-4-1)54-24-36-63(37-25-54)72(64-38-26-55(27-39-64)52-12-5-2-6-13-52)65-42-30-57(31-43-65)58-32-44-67(45-33-58)73(68-46-34-60(35-47-68)70-17-9-15-59-14-7-8-16-69(59)70)66-40-28-56(29-41-66)53-20-22-61(23-21-53)71-49-50-18-19-62(71)48-50/h1-47,50,62,71H,48-49H2.

What are the key properties of N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 935.23 g/mol, XLogP of 19.79, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 58058868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).