About [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
[5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol (PubChem CID 10552572) has the molecular formula C32H32N2O2
and a molecular weight of 476.62 g/mol. Its IUPAC name is [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol.
Molecular Properties
| Compound Name | [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol |
|---|
| PubChem CID | 10552572 |
|---|
| Molecular Formula | C32H32N2O2 |
|---|
| Molecular Weight | 476.62 g/mol |
|---|
| Exact Mass | 476.25 |
|---|
| IUPAC Name | [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol |
|---|
| SMILES | Cc1ccc(C(O)c2ccc(C(c3ccc(C)cc3)c3ccc(C(O)c4ccc(C)cc4)[nH]3)[nH]2)cc1 |
|---|
| InChI | InChI=1S/C32H32N2O2/c1-20-4-10-23(11-5-20)30(26-16-18-28(33-26)31(35)24-12-6-21(2)7-13-24)27-17-19-29(34-27)32(36)25-14-8-22(3)9-15-25/h4-19,30-36H,1-3H3 |
|---|
| InChIKey | JVJDMPZIJMNYHD-UHFFFAOYSA-N |
|---|
| XLogP | 6.61 |
|---|
| TPSA | 72.04 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 476.62 |
| LogP ≤ 5 | 6.61 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol 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 [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
The IUPAC name of [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol (CID 10552572) is [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol.
What is the SMILES notation for [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
The canonical SMILES for [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc(C(c3ccc(C)cc3)c3ccc(C(O)c4ccc(C)cc4)[nH]3)[nH]2)cc1.
What is the InChIKey of [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
The InChIKey is JVJDMPZIJMNYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-20-4-10-23(11-5-20)30(26-16-18-28(33-26)31(35)24-12-6-21(2)7-13-24)27-17-19-29(34-27)32(36)25-14-8-22(3)9-15-25/h4-19,30-36H,1-3H3.
What are the key properties of [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
[5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol has a molecular weight of 476.62 g/mol, XLogP of 6.61, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol is sourced from PubChem (CID 10552572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).