About 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine
10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine (PubChem CID 155173609) has the molecular formula C52H35F3N4O2
and a molecular weight of 804.87 g/mol. Its IUPAC name is 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine.
Molecular Properties
| Compound Name | 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine |
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| PubChem CID | 155173609 |
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| Molecular Formula | C52H35F3N4O2 |
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| Molecular Weight | 804.87 g/mol |
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| Exact Mass | 804.27 |
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| IUPAC Name | 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine |
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| SMILES | FC(F)(F)c1cccc(N2CC(c3ccc(-n4c5ccc(N6c7ccccc7Oc7ccccc76)cc5c5cc(N6c7ccccc7Oc7ccccc76)ccc54)cc3)C2)c1 |
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| InChI | InChI=1S/C52H35F3N4O2/c53-52(54,55)35-10-9-11-37(28-35)56-31-34(32-56)33-20-22-36(23-21-33)57-42-26-24-38(58-44-12-1-5-16-48(44)60-49-17-6-2-13-45(49)58)29-40(42)41-30-39(25-27-43(41)57)59-46-14-3-7-18-50(46)61-51-19-8-4-15-47(51)59/h1-30,34H,31-32H2 |
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| InChIKey | RVKBESPUMHPWAJ-UHFFFAOYSA-N |
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| XLogP | 14.56 |
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| TPSA | 33.11 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 61 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 804.87 |
| LogP ≤ 5 | 14.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine?
The IUPAC name of 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine (CID 155173609) is 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine.
What is the SMILES notation for 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine?
The canonical SMILES for 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine is FC(F)(F)c1cccc(N2CC(c3ccc(-n4c5ccc(N6c7ccccc7Oc7ccccc76)cc5c5cc(N6c7ccccc7Oc7ccccc76)ccc54)cc3)C2)c1.
What is the InChIKey of 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine?
The InChIKey is RVKBESPUMHPWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35F3N4O2/c53-52(54,55)35-10-9-11-37(28-35)56-31-34(32-56)33-20-22-36(23-21-33)57-42-26-24-38(58-44-12-1-5-16-48(44)60-49-17-6-2-13-45(49)58)29-40(42)41-30-39(25-27-43(41)57)59-46-14-3-7-18-50(46)61-51-19-8-4-15-47(51)59/h1-30,34H,31-32H2.
What are the key properties of 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine?
10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine has a molecular weight of 804.87 g/mol, XLogP of 14.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-phenoxazin-10-yl-9-[4-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]phenyl]carbazol-3-yl]phenoxazine is sourced from PubChem (CID 155173609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).