About 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine
3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine (PubChem CID 129089091) has the molecular formula C62H36N8O2
and a molecular weight of 925.02 g/mol. Its IUPAC name is 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine.
Molecular Properties
| Compound Name | 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine |
|---|
| PubChem CID | 129089091 |
|---|
| Molecular Formula | C62H36N8O2 |
|---|
| Molecular Weight | 925.02 g/mol |
|---|
| Exact Mass | 924.30 |
|---|
| IUPAC Name | 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine |
|---|
| SMILES | c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)nc3c2n1 |
|---|
| InChI | InChI=1S/C62H36N8O2/c1-5-17-45-39(13-1)40-14-2-6-18-46(40)67(45)37-25-29-51-55(35-37)71-53-23-11-9-21-49(53)69(51)57-31-27-43-59-60(64-34-33-63-59)44-28-32-58(66-62(44)61(43)65-57)70-50-22-10-12-24-54(50)72-56-36-38(26-30-52(56)70)68-47-19-7-3-15-41(47)42-16-4-8-20-48(42)68/h1-36H |
|---|
| InChIKey | UDJWBTKDENLJFH-UHFFFAOYSA-N |
|---|
| XLogP | 16.07 |
|---|
| TPSA | 86.36 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 72 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 925.02 |
| LogP ≤ 5 | 16.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|
Analyze 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]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 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine?
The IUPAC name of 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine (CID 129089091) is 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine.
What is the SMILES notation for 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine?
The canonical SMILES for 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine is c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)nc3c2n1.
What is the InChIKey of 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine?
The InChIKey is UDJWBTKDENLJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N8O2/c1-5-17-45-39(13-1)40-14-2-6-18-46(40)67(45)37-25-29-51-55(35-37)71-53-23-11-9-21-49(53)69(51)57-31-27-43-59-60(64-34-33-63-59)44-28-32-58(66-62(44)61(43)65-57)70-50-22-10-12-24-54(50)72-56-36-38(26-30-52(56)70)68-47-19-7-3-15-41(47)42-16-4-8-20-48(42)68/h1-36H.
What are the key properties of 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine?
3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine has a molecular weight of 925.02 g/mol, XLogP of 16.07, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-10-[7-(3-carbazol-9-ylphenoxazin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine is sourced from PubChem (CID 129089091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).