About 10-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
10-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (PubChem CID 129148174) has the molecular formula C62H40N6OS
and a molecular weight of 917.11 g/mol. Its IUPAC name is 10-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.
Molecular Properties
| Compound Name | 10-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine |
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| PubChem CID | 129148174 |
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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-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine |
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| SMILES | c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4N4c5ccccc5Sc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)nc3ccccc32)cc1 |
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| InChI | InChI=1S/C62H40N6OS/c1-3-19-43(20-4-1)65-49-25-9-7-23-47(49)63-61(65)41-35-37-45(55(39-41)67-51-27-11-15-31-57(51)69-58-32-16-12-28-52(58)67)46-38-36-42(62-64-48-24-8-10-26-50(48)66(62)44-21-5-2-6-22-44)40-56(46)68-53-29-13-17-33-59(53)70-60-34-18-14-30-54(60)68/h1-40H |
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| InChIKey | VWVPZJCBJFEXMB-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-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (CID 129148174) is 10-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4N4c5ccccc5Sc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)nc3ccccc32)cc1.
What is the InChIKey of 10-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The InChIKey is VWVPZJCBJFEXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6OS/c1-3-19-43(20-4-1)65-49-25-9-7-23-47(49)63-61(65)41-35-37-45(55(39-41)67-51-27-11-15-31-57(51)69-58-32-16-12-28-52(58)67)46-38-36-42(62-64-48-24-8-10-26-50(48)66(62)44-21-5-2-6-22-44)40-56(46)68-53-29-13-17-33-59(53)70-60-34-18-14-30-54(60)68/h1-40H.
What are the key properties of 10-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
10-[2-[2-phenothiazin-10-yl-4-(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-[2-[2-phenothiazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).