About 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine
10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine (PubChem CID 145297643) has the molecular formula C58H46N4
and a molecular weight of 799.03 g/mol. Its IUPAC name is 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine.
Molecular Properties
| Compound Name | 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine |
|---|
| PubChem CID | 145297643 |
|---|
| Molecular Formula | C58H46N4 |
|---|
| Molecular Weight | 799.03 g/mol |
|---|
| Exact Mass | 798.37 |
|---|
| IUPAC Name | 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine |
|---|
| SMILES | CC1(C)c2ccccc2N(c2cc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21 |
|---|
| InChI | InChI=1S/C58H46N4/c1-57(2)46-23-11-15-27-52(46)61(53-28-16-12-24-47(53)57)44-35-43(36-45(37-44)62-54-29-17-13-25-48(54)58(3,4)49-26-14-18-30-55(49)62)51-38-50(59-56(60-51)42-21-9-6-10-22-42)41-33-31-40(32-34-41)39-19-7-5-8-20-39/h5-38H,1-4H3 |
|---|
| InChIKey | WRYLWWIBKYOEDI-UHFFFAOYSA-N |
|---|
| XLogP | 15.36 |
|---|
| TPSA | 32.26 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 62 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 799.03 |
| LogP ≤ 5 | 15.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine 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 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine (CID 145297643) is 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine?
The InChIKey is WRYLWWIBKYOEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N4/c1-57(2)46-23-11-15-27-52(46)61(53-28-16-12-24-47(53)57)44-35-43(36-45(37-44)62-54-29-17-13-25-48(54)58(3,4)49-26-14-18-30-55(49)62)51-38-50(59-56(60-51)42-21-9-6-10-22-42)41-33-31-40(32-34-41)39-19-7-5-8-20-39/h5-38H,1-4H3.
What are the key properties of 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine?
10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine has a molecular weight of 799.03 g/mol, XLogP of 15.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 145297643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).