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 |
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| PubChem CID | 102299060 |
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| Molecular Formula | C52H40N2O2S |
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| Molecular Weight | 756.97 g/mol |
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| Exact Mass | 756.28 |
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| IUPAC Name | N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline |
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| SMILES | O=S(=O)(c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 |
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| 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+ |
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| InChIKey | WQSQJHZTRITEQG-MBALSZOMSA-N |
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| XLogP | 13.80 |
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| TPSA | 40.62 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 57 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| 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'} |
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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).