About N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline (PubChem CID 59533083) has the molecular formula C62H46N2
and a molecular weight of 819.06 g/mol. Its IUPAC name is N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline.
Molecular Properties
| Compound Name | N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline |
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| PubChem CID | 59533083 |
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| Molecular Formula | C62H46N2 |
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| Molecular Weight | 819.06 g/mol |
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| Exact Mass | 818.37 |
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| IUPAC Name | N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline |
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| SMILES | C(=C/c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1)\c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1 |
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| InChI | InChI=1S/C62H46N2/c1-5-13-49(14-6-1)51-27-31-53(32-28-51)55-35-43-61(44-36-55)63(57-17-9-3-10-18-57)59-39-23-47(24-40-59)21-22-48-25-41-60(42-26-48)64(58-19-11-4-12-20-58)62-45-37-56(38-46-62)54-33-29-52(30-34-54)50-15-7-2-8-16-50/h1-46H/b22-21+ |
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| InChIKey | ZRVVFCHRNWYKRA-QURGRASLSA-N |
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| XLogP | 17.46 |
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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 | 12 |
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| Heavy Atoms | 64 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 819.06 |
| LogP ≤ 5 | 17.46 |
| 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-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline?
The IUPAC name of N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline (CID 59533083) is N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline.
What is the SMILES notation for N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline?
The canonical SMILES for N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline is C(=C/c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1)\c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline?
The InChIKey is ZRVVFCHRNWYKRA-QURGRASLSA-N. The full InChI is InChI=1S/C62H46N2/c1-5-13-49(14-6-1)51-27-31-53(32-28-51)55-35-43-61(44-36-55)63(57-17-9-3-10-18-57)59-39-23-47(24-40-59)21-22-48-25-41-60(42-26-48)64(58-19-11-4-12-20-58)62-45-37-56(38-46-62)54-33-29-52(30-34-54)50-15-7-2-8-16-50/h1-46H/b22-21+.
What are the key properties of N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline?
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline has a molecular weight of 819.06 g/mol, XLogP of 17.46, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline is sourced from PubChem (CID 59533083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).