About 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine
10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine (PubChem CID 139311984) has the molecular formula C61H40N4O2
and a molecular weight of 861.02 g/mol. Its IUPAC name is 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine.
Molecular Properties
| Compound Name | 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine |
|---|
| PubChem CID | 139311984 |
|---|
| Molecular Formula | C61H40N4O2 |
|---|
| Molecular Weight | 861.02 g/mol |
|---|
| Exact Mass | 860.32 |
|---|
| IUPAC Name | 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine |
|---|
| SMILES | Cn1c2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cccc2c2c1c(-c1ccc(N3c4ccccc4Oc4ccccc43)cc1)cc1c3ccccc3n(-c3ccccc3)c12 |
|---|
| InChI | InChI=1S/C61H40N4O2/c1-62-59-44(39-30-34-42(35-31-39)63-50-22-7-11-26-54(50)66-55-27-12-8-23-51(55)63)19-15-20-46(59)58-60(62)47(38-48-45-18-5-6-21-49(45)65(61(48)58)41-16-3-2-4-17-41)40-32-36-43(37-33-40)64-52-24-9-13-28-56(52)67-57-29-14-10-25-53(57)64/h2-38H,1H3 |
|---|
| InChIKey | GQOLXHXNKJSHBE-UHFFFAOYSA-N |
|---|
| XLogP | 16.91 |
|---|
| TPSA | 34.80 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 67 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 861.02 |
| LogP ≤ 5 | 16.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-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-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine (CID 139311984) is 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine is Cn1c2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cccc2c2c1c(-c1ccc(N3c4ccccc4Oc4ccccc43)cc1)cc1c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
The InChIKey is GQOLXHXNKJSHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4O2/c1-62-59-44(39-30-34-42(35-31-39)63-50-22-7-11-26-54(50)66-55-27-12-8-23-51(55)63)19-15-20-46(59)58-60(62)47(38-48-45-18-5-6-21-49(45)65(61(48)58)41-16-3-2-4-17-41)40-32-36-43(37-33-40)64-52-24-9-13-28-56(52)67-57-29-14-10-25-53(57)64/h2-38H,1H3.
What are the key properties of 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine has a molecular weight of 861.02 g/mol, XLogP of 16.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[5-methyl-4-(4-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine is sourced from PubChem (CID 139311984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).