N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine

C54H38N2S2 — CID 21024780

About N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine

N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine (PubChem CID 21024780) has the molecular formula C54H38N2S2 and a molecular weight of 779.05 g/mol. Its IUPAC name is N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine
• PubChem CID: 21024780
• Molecular Formula: C54H38N2S2
• Molecular Weight: 779.05 g/mol
• Exact Mass: 778.25
• IUPAC Name: N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine
• SMILES: C(=C/c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)s2)cc1)\c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)s2)cc1
• InChI: InChI=1S/C54H38N2S2/c1-3-17-45(18-4-1)55(49-23-11-15-41-13-7-9-21-47(41)49)53-37-35-51(57-53)43-31-27-39(28-32-43)25-26-40-29-33-44(34-30-40)52-36-38-54(58-52)56(46-19-5-2-6-20-46)50-24-12-16-42-14-8-10-22-48(42)50/h1-38H/b26-25+
• InChIKey: IQMHKSUXRSCYPX-OCEACIFDSA-N
• XLogP: 16.56
• TPSA: 6.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.05
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine?

The IUPAC name of N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine (CID 21024780) is N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine.

What is the SMILES notation for N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine?

The canonical SMILES for N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine is C(=C/c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)s2)cc1)\c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)s2)cc1.

What is the InChIKey of N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine?

The InChIKey is IQMHKSUXRSCYPX-OCEACIFDSA-N. The full InChI is InChI=1S/C54H38N2S2/c1-3-17-45(18-4-1)55(49-23-11-15-41-13-7-9-21-47(41)49)53-37-35-51(57-53)43-31-27-39(28-32-43)25-26-40-29-33-44(34-30-40)52-36-38-54(58-52)56(46-19-5-2-6-20-46)50-24-12-16-42-14-8-10-22-48(42)50/h1-38H/b26-25+.

What are the key properties of N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine?

N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine has a molecular weight of 779.05 g/mol, XLogP of 16.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-5-[4-[(E)-2-[4-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]phenyl]ethenyl]phenyl]-N-phenylthiophen-2-amine is sourced from PubChem (CID 21024780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).