About 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (PubChem CID 129148196) has the molecular formula C62H40N6OS
and a molecular weight of 917.11 g/mol. Its IUPAC name is 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.
Molecular Properties
| Compound Name | 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine |
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| PubChem CID | 129148196 |
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| Molecular Formula | C62H40N6OS |
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| Molecular Weight | 917.11 g/mol |
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| Exact Mass | 916.30 |
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| IUPAC Name | 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine |
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| SMILES | c1ccc(-n2c(-c3cc(-c4cc(-c5nc6ccccc6n5-c5ccccc5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccccc32)cc1 |
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| InChI | InChI=1S/C62H40N6OS/c1-3-19-45(20-4-1)67-51-25-9-7-23-49(51)63-61(67)43-35-41(37-47(39-43)65-53-27-11-15-31-57(53)69-58-32-16-12-28-54(58)65)42-36-44(62-64-50-24-8-10-26-52(50)68(62)46-21-5-2-6-22-46)40-48(38-42)66-55-29-13-17-33-59(55)70-60-34-18-14-30-56(60)66/h1-40H |
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| InChIKey | BGFOKQDJDVPUSS-UHFFFAOYSA-N |
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| XLogP | 16.88 |
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| TPSA | 51.35 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 70 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 917.11 |
| LogP ≤ 5 | 16.88 |
| 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-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (CID 129148196) is 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3cc(-c4cc(-c5nc6ccccc6n5-c5ccccc5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccccc32)cc1.
What is the InChIKey of 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The InChIKey is BGFOKQDJDVPUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6OS/c1-3-19-45(20-4-1)67-51-25-9-7-23-49(51)63-61(67)43-35-41(37-47(39-43)65-53-27-11-15-31-57(53)69-58-32-16-12-28-54(58)65)42-36-44(62-64-50-24-8-10-26-52(50)68(62)46-21-5-2-6-22-46)40-48(38-42)66-55-29-13-17-33-59(55)70-60-34-18-14-30-56(60)66/h1-40H.
What are the key properties of 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine has a molecular weight of 917.11 g/mol, XLogP of 16.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).