About 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine (PubChem CID 129290712) has the molecular formula C62H38N10OS
and a molecular weight of 971.12 g/mol. Its IUPAC name is 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine.
Molecular Properties
| Compound Name | 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine |
|---|
| PubChem CID | 129290712 |
|---|
| Molecular Formula | C62H38N10OS |
|---|
| Molecular Weight | 971.12 g/mol |
|---|
| Exact Mass | 970.30 |
|---|
| IUPAC Name | 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine |
|---|
| SMILES | c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4nc(-c5ccccn5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)n2)nc1 |
|---|
| InChI | InChI=1S/C62H38N10OS/c1-5-25-57-52(21-1)71(53-22-2-6-26-58(53)73-57)40-35-41-42(56(36-40)72-54-23-3-7-27-59(54)74-60-28-8-4-24-55(60)72)33-39(61-67-48(44-17-9-13-29-63-44)37-49(68-61)45-18-10-14-30-64-45)34-43(41)62-69-50(46-19-11-15-31-65-46)38-51(70-62)47-20-12-16-32-66-47/h1-38H |
|---|
| InChIKey | XRBUPQJNJVSPKS-UHFFFAOYSA-N |
|---|
| XLogP | 15.51 |
|---|
| TPSA | 118.83 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 12 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 74 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 971.12 |
| LogP ≤ 5 | 15.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Analyze 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-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 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine?
The IUPAC name of 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine (CID 129290712) is 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine.
What is the SMILES notation for 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine?
The canonical SMILES for 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine is c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4nc(-c5ccccn5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)n2)nc1.
What is the InChIKey of 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine?
The InChIKey is XRBUPQJNJVSPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N10OS/c1-5-25-57-52(21-1)71(53-22-2-6-26-58(53)73-57)40-35-41-42(56(36-40)72-54-23-3-7-27-59(54)74-60-28-8-4-24-55(60)72)33-39(61-67-48(44-17-9-13-29-63-44)37-49(68-61)45-18-10-14-30-64-45)34-43(41)62-69-50(46-19-11-15-31-65-46)38-51(70-62)47-20-12-16-32-66-47/h1-38H.
What are the key properties of 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine?
10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine has a molecular weight of 971.12 g/mol, XLogP of 15.51, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6,8-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine is sourced from PubChem (CID 129290712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).