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

C52H38N2 — CID 59575121

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

N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine (PubChem CID 59575121) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
• PubChem CID: 59575121
• Molecular Formula: C52H38N2
• Molecular Weight: 690.89 g/mol
• Exact Mass: 690.30
• IUPAC Name: N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
• SMILES: C(=Cc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C52H38N2/c1-3-17-45(18-4-1)53(46-19-5-2-6-20-46)47-37-33-42(34-38-47)41-31-27-39(28-32-41)25-26-40-29-35-48(36-30-40)54(51-23-11-15-43-13-7-9-21-49(43)51)52-24-12-16-44-14-8-10-22-50(44)52/h1-38H
• InChIKey: GNHQKCHBHXFBFF-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.89
LogP ≤ 5	14.77
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-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine?

The IUPAC name of N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine (CID 59575121) is N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine.

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

The canonical SMILES for N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine is C(=Cc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.

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

The InChIKey is GNHQKCHBHXFBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-3-17-45(18-4-1)53(46-19-5-2-6-20-46)47-37-33-42(34-38-47)41-31-27-39(28-32-41)25-26-40-29-35-48(36-30-40)54(51-23-11-15-43-13-7-9-21-49(43)51)52-24-12-16-44-14-8-10-22-50(44)52/h1-38H.

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

N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine has a molecular weight of 690.89 g/mol, XLogP of 14.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 59575121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).