About 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole
6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole (PubChem CID 88886606) has the molecular formula C56H35F3N2
and a molecular weight of 792.90 g/mol. Its IUPAC name is 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole.
Molecular Properties
| Compound Name | 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole |
|---|
| PubChem CID | 88886606 |
|---|
| Molecular Formula | C56H35F3N2 |
|---|
| Molecular Weight | 792.90 g/mol |
|---|
| Exact Mass | 792.28 |
|---|
| IUPAC Name | 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole |
|---|
| SMILES | FC(F)(F)c1cc(-c2ccc3c(c2)c2cccnc2n3-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1 |
|---|
| InChI | InChI=1S/C56H35F3N2/c57-56(58,59)44-33-42(32-43(34-44)54-48-18-9-7-16-46(48)53(40-14-5-2-6-15-40)47-17-8-10-19-49(47)54)41-27-30-52-51(35-41)50-20-11-31-60-55(50)61(52)45-28-25-39(26-29-45)38-23-21-37(22-24-38)36-12-3-1-4-13-36/h1-35H |
|---|
| InChIKey | ZNDZEGKPJHXGMV-UHFFFAOYSA-N |
|---|
| XLogP | 15.84 |
|---|
| TPSA | 17.82 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 61 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 792.90 |
| LogP ≤ 5 | 15.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|
Analyze 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole 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 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole?
The IUPAC name of 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole (CID 88886606) is 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole is FC(F)(F)c1cc(-c2ccc3c(c2)c2cccnc2n3-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole?
The InChIKey is ZNDZEGKPJHXGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35F3N2/c57-56(58,59)44-33-42(32-43(34-44)54-48-18-9-7-16-46(48)53(40-14-5-2-6-15-40)47-17-8-10-19-49(47)54)41-27-30-52-51(35-41)50-20-11-31-60-55(50)61(52)45-28-25-39(26-29-45)38-23-21-37(22-24-38)36-12-3-1-4-13-36/h1-35H.
What are the key properties of 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole?
6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole has a molecular weight of 792.90 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]-9-[4-(4-phenylphenyl)phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 88886606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).