About 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine
10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine (PubChem CID 118532499) has the molecular formula C56H36N6O2
and a molecular weight of 824.94 g/mol. Its IUPAC name is 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine.
Molecular Properties
| Compound Name | 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine |
|---|
| PubChem CID | 118532499 |
|---|
| Molecular Formula | C56H36N6O2 |
|---|
| Molecular Weight | 824.94 g/mol |
|---|
| Exact Mass | 824.29 |
|---|
| IUPAC Name | 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine |
|---|
| SMILES | c1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cc4c(cc32)nc(-c2ccc(N3c5ccccc5Oc5ccccc53)cc2)n4-c2ccccc2)cc1 |
|---|
| InChI | InChI=1S/C56H36N6O2/c1-3-15-39(16-4-1)61-49-35-44-50(36-43(49)57-55(61)37-27-31-41(32-28-37)59-45-19-7-11-23-51(45)63-52-24-12-8-20-46(52)59)62(40-17-5-2-6-18-40)56(58-44)38-29-33-42(34-30-38)60-47-21-9-13-25-53(47)64-54-26-14-10-22-48(54)60/h1-36H |
|---|
| InChIKey | GWCVWOVUAFZYSH-UHFFFAOYSA-N |
|---|
| XLogP | 14.85 |
|---|
| TPSA | 60.58 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 64 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 824.94 |
| LogP ≤ 5 | 14.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine 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-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine (CID 118532499) is 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine is c1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cc4c(cc32)nc(-c2ccc(N3c5ccccc5Oc5ccccc53)cc2)n4-c2ccccc2)cc1.
What is the InChIKey of 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine?
The InChIKey is GWCVWOVUAFZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6O2/c1-3-15-39(16-4-1)61-49-35-44-50(36-43(49)57-55(61)37-27-31-41(32-28-37)59-45-19-7-11-23-51(45)63-52-24-12-8-20-46(52)59)62(40-17-5-2-6-18-40)56(58-44)38-29-33-42(34-30-38)60-47-21-9-13-25-53(47)64-54-26-14-10-22-48(54)60/h1-36H.
What are the key properties of 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine?
10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine has a molecular weight of 824.94 g/mol, XLogP of 14.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine is sourced from PubChem (CID 118532499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).