About 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine
10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine (PubChem CID 129290673) has the molecular formula C62H38N10O2
and a molecular weight of 955.05 g/mol. Its IUPAC name is 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine.
Molecular Properties
| Compound Name | 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine |
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| PubChem CID | 129290673 |
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| Molecular Formula | C62H38N10O2 |
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| Molecular Weight | 955.05 g/mol |
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| Exact Mass | 954.32 |
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| IUPAC Name | 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine |
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| SMILES | c1ccc(-c2nc(-c3cccnc3)cc(-c3cc(N4c5ccccc5Oc5ccccc54)cc4c(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)cc34)n2)nc1 |
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| InChI | InChI=1S/C62H38N10O2/c1-5-23-57-53(19-1)71(54-20-2-6-24-58(54)73-57)41-31-43-44(45(33-41)51-35-49(39-15-13-27-63-37-39)67-61(69-51)47-17-9-11-29-65-47)32-42(72-55-21-3-7-25-59(55)74-60-26-8-4-22-56(60)72)34-46(43)52-36-50(40-16-14-28-64-38-40)68-62(70-52)48-18-10-12-30-66-48/h1-38H |
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| InChIKey | QPVQILZQZSFEDF-UHFFFAOYSA-N |
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| XLogP | 15.15 |
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| TPSA | 128.06 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 74 |
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| Complexity | — |
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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 |
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Frequently Asked Questions
What is the IUPAC name of 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine?
The IUPAC name of 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine (CID 129290673) is 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine.
What is the SMILES notation for 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine?
The canonical SMILES for 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine is c1ccc(-c2nc(-c3cccnc3)cc(-c3cc(N4c5ccccc5Oc5ccccc54)cc4c(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)cc34)n2)nc1.
What is the InChIKey of 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine?
The InChIKey is QPVQILZQZSFEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N10O2/c1-5-23-57-53(19-1)71(54-20-2-6-24-58(54)73-57)41-31-43-44(45(33-41)51-35-49(39-15-13-27-63-37-39)67-61(69-51)47-17-9-11-29-65-47)32-42(72-55-21-3-7-25-59(55)74-60-26-8-4-22-56(60)72)34-46(43)52-36-50(40-16-14-28-64-38-40)68-62(70-52)48-18-10-12-30-66-48/h1-38H.
What are the key properties of 10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine?
10-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-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-[6-phenoxazin-10-yl-4,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine is sourced from PubChem (CID 129290673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).