About 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine
10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine (PubChem CID 129290649) has the molecular formula C62H38N10O2
and a molecular weight of 955.05 g/mol. Its IUPAC name is 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine.
Molecular Properties
| Compound Name | 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine |
|---|
| PubChem CID | 129290649 |
|---|
| Molecular Formula | C62H38N10O2 |
|---|
| Molecular Weight | 955.05 g/mol |
|---|
| Exact Mass | 954.32 |
|---|
| IUPAC Name | 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine |
|---|
| SMILES | c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5nc(-c6cccnc6)cc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1 |
|---|
| InChI | InChI=1S/C62H38N10O2/c1-5-23-57-51(19-1)71(52-20-2-6-24-58(52)73-57)55-33-41(61-67-47(39-15-13-27-63-37-39)35-49(69-61)45-17-9-11-29-65-45)32-44-43(55)31-42(34-56(44)72-53-21-3-7-25-59(53)74-60-26-8-4-22-54(60)72)62-68-48(40-16-14-28-64-38-40)36-50(70-62)46-18-10-12-30-66-46/h1-38H |
|---|
| InChIKey | XPFNACKLILERCY-UHFFFAOYSA-N |
|---|
| XLogP | 15.15 |
|---|
| TPSA | 128.06 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 | 955.05 |
| LogP ≤ 5 | 15.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Analyze 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-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-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine (CID 129290649) is 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine is c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5nc(-c6cccnc6)cc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.
What is the InChIKey of 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine?
The InChIKey is XPFNACKLILERCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N10O2/c1-5-23-57-51(19-1)71(52-20-2-6-24-58(52)73-57)55-33-41(61-67-47(39-15-13-27-63-37-39)35-49(69-61)45-17-9-11-29-65-45)32-44-43(55)31-42(34-56(44)72-53-21-3-7-25-59(53)74-60-26-8-4-22-54(60)72)62-68-48(40-16-14-28-64-38-40)36-50(70-62)46-18-10-12-30-66-46/h1-38H.
What are the key properties of 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine?
10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine has a molecular weight of 955.05 g/mol, XLogP of 15.15, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129290649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).