About 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene
1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene (PubChem CID 14001802) has the molecular formula C46H38
and a molecular weight of 590.81 g/mol. Its IUPAC name is 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene.
Molecular Properties
| Compound Name | 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene |
|---|
| PubChem CID | 14001802 |
|---|
| Molecular Formula | C46H38 |
|---|
| Molecular Weight | 590.81 g/mol |
|---|
| Exact Mass | 590.30 |
|---|
| IUPAC Name | 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene |
|---|
| SMILES | Cc1ccc(C(=C2C(=C(c3ccc(C)cc3)c3ccc(C)cc3)C(c3ccccc3)=C2c2ccccc2)c2ccc(C)cc2)cc1 |
|---|
| InChI | InChI=1S/C46H38/c1-31-15-23-37(24-16-31)41(38-25-17-32(2)18-26-38)45-43(35-11-7-5-8-12-35)44(36-13-9-6-10-14-36)46(45)42(39-27-19-33(3)20-28-39)40-29-21-34(4)22-30-40/h5-30H,1-4H3 |
|---|
| InChIKey | JCIVSBWPMLSHLZ-UHFFFAOYSA-N |
|---|
| XLogP | 11.85 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 46 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 590.81 |
| LogP ≤ 5 | 11.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
|---|
Analyze 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene (CID 14001802) is 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene is Cc1ccc(C(=C2C(=C(c3ccc(C)cc3)c3ccc(C)cc3)C(c3ccccc3)=C2c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene?
The InChIKey is JCIVSBWPMLSHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38/c1-31-15-23-37(24-16-31)41(38-25-17-32(2)18-26-38)45-43(35-11-7-5-8-12-35)44(36-13-9-6-10-14-36)46(45)42(39-27-19-33(3)20-28-39)40-29-21-34(4)22-30-40/h5-30H,1-4H3.
What are the key properties of 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene?
1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene has a molecular weight of 590.81 g/mol, XLogP of 11.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 14001802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).