About 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene
1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene (PubChem CID 23400804) has the molecular formula C81H60
and a molecular weight of 1033.37 g/mol. Its IUPAC name is 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene.
Molecular Properties
| Compound Name | 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene |
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| PubChem CID | 23400804 |
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| Molecular Formula | C81H60 |
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| Molecular Weight | 1033.37 g/mol |
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| Exact Mass | 1032.47 |
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| IUPAC Name | 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene |
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| SMILES | C(=C(c1ccccc1)c1ccccc1)c1ccc(C(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1 |
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| InChI | InChI=1S/C81H60/c1-9-25-65(26-10-1)77(66-27-11-2-12-28-66)57-61-41-49-73(50-42-61)81(74-51-43-62(44-52-74)58-78(67-29-13-3-14-30-67)68-31-15-4-16-32-68,75-53-45-63(46-54-75)59-79(69-33-17-5-18-34-69)70-35-19-6-20-36-70)76-55-47-64(48-56-76)60-80(71-37-21-7-22-38-71)72-39-23-8-24-40-72/h1-60H |
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| InChIKey | NBBFNTWSZOJLMV-UHFFFAOYSA-N |
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| XLogP | 20.42 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 81 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1033.37 |
| LogP ≤ 5 | 20.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene?
The IUPAC name of 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene (CID 23400804) is 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene?
The canonical SMILES for 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene is C(=C(c1ccccc1)c1ccccc1)c1ccc(C(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene?
The InChIKey is NBBFNTWSZOJLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H60/c1-9-25-65(26-10-1)77(66-27-11-2-12-28-66)57-61-41-49-73(50-42-61)81(74-51-43-62(44-52-74)58-78(67-29-13-3-14-30-67)68-31-15-4-16-32-68,75-53-45-63(46-54-75)59-79(69-33-17-5-18-34-69)70-35-19-6-20-36-70)76-55-47-64(48-56-76)60-80(71-37-21-7-22-38-71)72-39-23-8-24-40-72/h1-60H.
What are the key properties of 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene?
1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene has a molecular weight of 1033.37 g/mol, XLogP of 20.42, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene is sourced from PubChem (CID 23400804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).