About N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline (PubChem CID 22089651) has the molecular formula C50H38N2
and a molecular weight of 666.87 g/mol. Its IUPAC name is N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline.
Molecular Properties
| Compound Name | N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline |
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| PubChem CID | 22089651 |
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| Molecular Formula | C50H38N2 |
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| Molecular Weight | 666.87 g/mol |
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| Exact Mass | 666.30 |
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| IUPAC Name | N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline |
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| SMILES | C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1 |
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| InChI | InChI=1S/C50H38N2/c1-5-15-43(16-6-1)51(44-17-7-2-8-18-44)47-35-27-39(28-36-47)25-31-41-33-34-42(50-24-14-13-23-49(41)50)32-26-40-29-37-48(38-30-40)52(45-19-9-3-10-20-45)46-21-11-4-12-22-46/h1-38H/b31-25+,32-26+ |
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| InChIKey | ZRRUDIXIMMOTLY-YESHOFFLSA-N |
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| XLogP | 14.12 |
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| TPSA | 6.48 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 52 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 666.87 |
| LogP ≤ 5 | 14.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline (CID 22089651) is N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline is C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline?
The InChIKey is ZRRUDIXIMMOTLY-YESHOFFLSA-N. The full InChI is InChI=1S/C50H38N2/c1-5-15-43(16-6-1)51(44-17-7-2-8-18-44)47-35-27-39(28-36-47)25-31-41-33-34-42(50-24-14-13-23-49(41)50)32-26-40-29-37-48(38-30-40)52(45-19-9-3-10-20-45)46-21-11-4-12-22-46/h1-38H/b31-25+,32-26+.
What are the key properties of N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline?
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline has a molecular weight of 666.87 g/mol, XLogP of 14.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline is sourced from PubChem (CID 22089651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).