About 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine (PubChem CID 129148199) has the molecular formula C48H28N4O3S
and a molecular weight of 740.84 g/mol. Its IUPAC name is 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine.
Molecular Properties
| Compound Name | 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine |
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| PubChem CID | 129148199 |
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| Molecular Formula | C48H28N4O3S |
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| Molecular Weight | 740.84 g/mol |
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| Exact Mass | 740.19 |
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| IUPAC Name | 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine |
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| SMILES | c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)cc2c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4ccccc4o3)cc12 |
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| InChI | InChI=1S/C48H28N4O3S/c1-7-19-41-33(13-1)49-47(55-41)29-25-31-32(39(27-29)51-35-15-3-8-20-42(35)53-43-21-9-4-16-36(43)51)26-30(48-50-34-14-2-12-24-46(34)56-48)28-40(31)52-37-17-5-10-22-44(37)54-45-23-11-6-18-38(45)52/h1-28H |
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| InChIKey | RJBAGNXRDOVNCZ-UHFFFAOYSA-N |
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| XLogP | 14.08 |
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| TPSA | 63.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 56 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 740.84 |
| LogP ≤ 5 | 14.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine (CID 129148199) is 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)cc2c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4ccccc4o3)cc12.
What is the InChIKey of 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine?
The InChIKey is RJBAGNXRDOVNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O3S/c1-7-19-41-33(13-1)49-47(55-41)29-25-31-32(39(27-29)51-35-15-3-8-20-42(35)53-43-21-9-4-16-36(43)51)26-30(48-50-34-14-2-12-24-46(34)56-48)28-40(31)52-37-17-5-10-22-44(37)54-45-23-11-6-18-38(45)52/h1-28H.
What are the key properties of 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine?
10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine has a molecular weight of 740.84 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(1,3-benzothiazol-2-yl)-7-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129148199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).