N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine

C55H42N2 — CID 89074731

About N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine

N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine (PubChem CID 89074731) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 89074731
• Molecular Formula: C55H42N2
• Molecular Weight: 730.96 g/mol
• Exact Mass: 730.33
• IUPAC Name: N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
• SMILES: Cc1ccccc1N(c1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1)c1cccc2ccccc12
• InChI: InChI=1S/C55H42N2/c1-41-13-8-11-21-54(41)57(55-22-12-15-48-14-9-10-20-53(48)55)52-39-35-47(36-40-52)45-31-27-43(28-32-45)24-23-42-25-29-44(30-26-42)46-33-37-51(38-34-46)56(49-16-4-2-5-17-49)50-18-6-3-7-19-50/h2-40H,1H3/b24-23+
• InChIKey: AIVDKCSLTBLXFN-WCWDXBQESA-N
• XLogP: 15.59
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.96
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine (CID 89074731) is N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine is Cc1ccccc1N(c1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1)c1cccc2ccccc12.

What is the InChIKey of N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

The InChIKey is AIVDKCSLTBLXFN-WCWDXBQESA-N. The full InChI is InChI=1S/C55H42N2/c1-41-13-8-11-21-54(41)57(55-22-12-15-48-14-9-10-20-53(48)55)52-39-35-47(36-40-52)45-31-27-43(28-32-45)24-23-42-25-29-44(30-26-42)46-33-37-51(38-34-46)56(49-16-4-2-5-17-49)50-18-6-3-7-19-50/h2-40H,1H3/b24-23+.

What are the key properties of N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine has a molecular weight of 730.96 g/mol, XLogP of 15.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 89074731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).