About 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine
10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine (PubChem CID 129148165) has the molecular formula C54H33N5O2S
and a molecular weight of 815.96 g/mol. Its IUPAC name is 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine.
Molecular Properties
| Compound Name | 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine |
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| PubChem CID | 129148165 |
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| Molecular Formula | C54H33N5O2S |
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| Molecular Weight | 815.96 g/mol |
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| Exact Mass | 815.24 |
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| IUPAC Name | 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine |
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| SMILES | c1ccc(-n2c(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5nc6ccccc6s5)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc3ccccc32)cc1 |
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| InChI | InChI=1S/C54H33N5O2S/c1-2-16-36(17-3-1)57-41-20-6-4-18-39(41)55-53(57)34-30-37-38(46(32-34)58-42-21-7-11-25-48(42)60-49-26-12-8-22-43(49)58)31-35(54-56-40-19-5-15-29-52(40)62-54)33-47(37)59-44-23-9-13-27-50(44)61-51-28-14-10-24-45(51)59/h1-33H |
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| InChIKey | DIGVMZJTFNTGOL-UHFFFAOYSA-N |
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| XLogP | 15.27 |
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| TPSA | 55.65 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 62 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 815.96 |
| LogP ≤ 5 | 15.27 |
| 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)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine (CID 129148165) is 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine is c1ccc(-n2c(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5nc6ccccc6s5)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc3ccccc32)cc1.
What is the InChIKey of 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine?
The InChIKey is DIGVMZJTFNTGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5O2S/c1-2-16-36(17-3-1)57-41-20-6-4-18-39(41)55-53(57)34-30-37-38(46(32-34)58-42-21-7-11-25-48(42)60-49-26-12-8-22-43(49)58)31-35(54-56-40-19-5-15-29-52(40)62-54)33-47(37)59-44-23-9-13-27-50(44)61-51-28-14-10-24-45(51)59/h1-33H.
What are the key properties of 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine?
10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine has a molecular weight of 815.96 g/mol, XLogP of 15.27, 5 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)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129148165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).