N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine

C55H42N2 — CID 91284836

About N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine

N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine (PubChem CID 91284836) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 91284836
• Molecular Formula: C55H42N2
• Molecular Weight: 730.96 g/mol
• Exact Mass: 730.33
• IUPAC Name: N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
• SMILES: Cc1cccc(N(c2ccc(-c3ccc(C=Cc4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2cccc3ccccc23)c1
• InChI: InChI=1S/C55H42N2/c1-41-12-10-19-53(40-41)57(55-21-11-14-48-13-8-9-20-54(48)55)52-38-34-47(35-39-52)45-30-26-43(27-31-45)23-22-42-24-28-44(29-25-42)46-32-36-51(37-33-46)56(49-15-4-2-5-16-49)50-17-6-3-7-18-50/h2-40H,1H3
• InChIKey: FAIRZYJLVJZKBR-UHFFFAOYSA-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-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine (CID 91284836) is N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine is Cc1cccc(N(c2ccc(-c3ccc(C=Cc4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2cccc3ccccc23)c1.

What is the InChIKey of N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

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

What are the key properties of N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

N-(3-methylphenyl)-N-[4-[4-[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-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 91284836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).