About 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine
10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine (PubChem CID 89419729) has the molecular formula C66H41N3OS
and a molecular weight of 924.14 g/mol. Its IUPAC name is 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine.
Molecular Properties
| Compound Name | 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine |
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| PubChem CID | 89419729 |
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| Molecular Formula | C66H41N3OS |
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| Molecular Weight | 924.14 g/mol |
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| Exact Mass | 923.30 |
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| IUPAC Name | 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine |
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| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc6sc7cc(-n8c9ccccc9c9cc(-c%10cccc(N%11c%12ccccc%12Oc%12ccccc%12%11)c%10)ccc98)ccc7c56)c4)ccc32)cc1 |
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| InChI | InChI=1S/C66H41N3OS/c1-2-18-47(19-3-1)67-56-24-6-4-21-51(56)54-39-44(31-35-58(54)67)42-15-12-17-46(37-42)50-23-14-30-64-66(50)53-34-33-49(41-65(53)71-64)68-57-25-7-5-22-52(57)55-40-45(32-36-59(55)68)43-16-13-20-48(38-43)69-60-26-8-10-28-62(60)70-63-29-11-9-27-61(63)69/h1-41H |
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| InChIKey | FLKLJMSTRQFYQU-UHFFFAOYSA-N |
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| XLogP | 18.83 |
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| TPSA | 22.33 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 71 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 924.14 |
| LogP ≤ 5 | 18.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine?
The IUPAC name of 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine (CID 89419729) is 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc6sc7cc(-n8c9ccccc9c9cc(-c%10cccc(N%11c%12ccccc%12Oc%12ccccc%12%11)c%10)ccc98)ccc7c56)c4)ccc32)cc1.
What is the InChIKey of 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine?
The InChIKey is FLKLJMSTRQFYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3OS/c1-2-18-47(19-3-1)67-56-24-6-4-21-51(56)54-39-44(31-35-58(54)67)42-15-12-17-46(37-42)50-23-14-30-64-66(50)53-34-33-49(41-65(53)71-64)68-57-25-7-5-22-52(57)55-40-45(32-36-59(55)68)43-16-13-20-48(38-43)69-60-26-8-10-28-62(60)70-63-29-11-9-27-61(63)69/h1-41H.
What are the key properties of 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine?
10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine has a molecular weight of 924.14 g/mol, XLogP of 18.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[9-[9-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]phenyl]phenoxazine is sourced from PubChem (CID 89419729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).