About (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
(4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate (PubChem CID 18279113) has the molecular formula C26H18N4O3
and a molecular weight of 434.46 g/mol. Its IUPAC name is (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate.
Molecular Properties
| Compound Name | (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate |
|---|
| PubChem CID | 18279113 |
|---|
| Molecular Formula | C26H18N4O3 |
|---|
| Molecular Weight | 434.46 g/mol |
|---|
| Exact Mass | 434.14 |
|---|
| IUPAC Name | (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate |
|---|
| SMILES | O=C(Oc1ccc(-c2ccccc2)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 |
|---|
| InChI | InChI=1S/C26H18N4O3/c31-26(33-22-15-13-20(14-16-22)19-8-3-1-4-9-19)24(18-23-12-7-17-32-23)30-25(27-28-29-30)21-10-5-2-6-11-21/h1-18H/b24-18- |
|---|
| InChIKey | QNKKKSIVMYAZIO-MOHJPFBDSA-N |
|---|
| XLogP | 5.20 |
|---|
| TPSA | 83.04 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 434.46 |
| LogP ≤ 5 | 5.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'} |
|---|
Analyze (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate 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 (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
The IUPAC name of (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate (CID 18279113) is (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate.
What is the SMILES notation for (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
The canonical SMILES for (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate is O=C(Oc1ccc(-c2ccccc2)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
The InChIKey is QNKKKSIVMYAZIO-MOHJPFBDSA-N. The full InChI is InChI=1S/C26H18N4O3/c31-26(33-22-15-13-20(14-16-22)19-8-3-1-4-9-19)24(18-23-12-7-17-32-23)30-25(27-28-29-30)21-10-5-2-6-11-21/h1-18H/b24-18-.
What are the key properties of (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
(4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate has a molecular weight of 434.46 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate is sourced from PubChem (CID 18279113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).