N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline

C52H40N2O2S — CID 102299060

About N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline

N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline (PubChem CID 102299060) has the molecular formula C52H40N2O2S and a molecular weight of 756.97 g/mol. Its IUPAC name is N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline
• PubChem CID: 102299060
• Molecular Formula: C52H40N2O2S
• Molecular Weight: 756.97 g/mol
• Exact Mass: 756.28
• IUPAC Name: N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline
• SMILES: O=S(=O)(c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C52H40N2O2S/c55-57(56,51-37-29-43(30-38-51)23-21-41-25-33-49(34-26-41)53(45-13-5-1-6-14-45)46-15-7-2-8-16-46)52-39-31-44(32-40-52)24-22-42-27-35-50(36-28-42)54(47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-40H/b23-21+,24-22+
• InChIKey: WQSQJHZTRITEQG-MBALSZOMSA-N
• XLogP: 13.80
• TPSA: 40.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.97
LogP ≤ 5	13.80
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,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline?

The IUPAC name of N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline (CID 102299060) is N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline.

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

The canonical SMILES for N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline is O=S(=O)(c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.

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

The InChIKey is WQSQJHZTRITEQG-MBALSZOMSA-N. The full InChI is InChI=1S/C52H40N2O2S/c55-57(56,51-37-29-43(30-38-51)23-21-41-25-33-49(34-26-41)53(45-13-5-1-6-14-45)46-15-7-2-8-16-46)52-39-31-44(32-40-52)24-22-42-27-35-50(36-28-42)54(47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-40H/b23-21+,24-22+.

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

N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline has a molecular weight of 756.97 g/mol, XLogP of 13.80, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline is sourced from PubChem (CID 102299060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).