N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline

C32H25NS — CID 20603581

About N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline

N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline (PubChem CID 20603581) has the molecular formula C32H25NS and a molecular weight of 455.63 g/mol. Its IUPAC name is N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline
• PubChem CID: 20603581
• Molecular Formula: C32H25NS
• Molecular Weight: 455.63 g/mol
• Exact Mass: 455.17
• IUPAC Name: N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline
• SMILES: C(=C/c1cccc(N(c2ccccc2)c2ccccc2)c1)\c1ccc(/C=C/c2cccs2)cc1
• InChI: InChI=1S/C32H25NS/c1-3-10-29(11-4-1)33(30-12-5-2-6-13-30)31-14-7-9-28(25-31)21-20-26-16-18-27(19-17-26)22-23-32-15-8-24-34-32/h1-25H/b21-20+,23-22+
• InChIKey: OMPFHGMLXCLRRI-RLJRJAJVSA-N
• XLogP: 9.56
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.63
LogP ≤ 5	9.56
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,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline?

The IUPAC name of N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline (CID 20603581) is N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline.

What is the SMILES notation for N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline?

The canonical SMILES for N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline is C(=C/c1cccc(N(c2ccccc2)c2ccccc2)c1)\c1ccc(/C=C/c2cccs2)cc1.

What is the InChIKey of N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline?

The InChIKey is OMPFHGMLXCLRRI-RLJRJAJVSA-N. The full InChI is InChI=1S/C32H25NS/c1-3-10-29(11-4-1)33(30-12-5-2-6-13-30)31-14-7-9-28(25-31)21-20-26-16-18-27(19-17-26)22-23-32-15-8-24-34-32/h1-25H/b21-20+,23-22+.

What are the key properties of N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline?

N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline has a molecular weight of 455.63 g/mol, XLogP of 9.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline is sourced from PubChem (CID 20603581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).