About 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine
10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 163505828) has the molecular formula C72H52F2N4O2
and a molecular weight of 1043.23 g/mol. Its IUPAC name is 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine.
Molecular Properties
| Compound Name | 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine |
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| PubChem CID | 163505828 |
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| Molecular Formula | C72H52F2N4O2 |
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| Molecular Weight | 1043.23 g/mol |
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| Exact Mass | 1042.41 |
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| IUPAC Name | 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine |
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| SMILES | CC(C)(c1c(-c2ccccc2F)c(N2c3ccccc3Oc3ccccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21 |
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| InChI | InChI=1S/C72H52F2N4O2/c1-71(2,77-53-33-13-7-25-45(53)46-26-8-14-34-54(46)77)67-65(49-29-5-11-31-51(49)73)69(75-57-37-17-21-41-61(57)79-62-42-22-18-38-58(62)75)68(72(3,4)78-55-35-15-9-27-47(55)48-28-10-16-36-56(48)78)70(66(67)50-30-6-12-32-52(50)74)76-59-39-19-23-43-63(59)80-64-44-24-20-40-60(64)76/h5-44H,1-4H3 |
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| InChIKey | CYMAWPXUSDKRNC-UHFFFAOYSA-N |
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| XLogP | 20.23 |
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| TPSA | 34.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 80 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1043.23 |
| LogP ≤ 5 | 20.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine?
The IUPAC name of 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine (CID 163505828) is 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine?
The canonical SMILES for 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine is CC(C)(c1c(-c2ccccc2F)c(N2c3ccccc3Oc3ccccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21.
What is the InChIKey of 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine?
The InChIKey is CYMAWPXUSDKRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52F2N4O2/c1-71(2,77-53-33-13-7-25-45(53)46-26-8-14-34-54(46)77)67-65(49-29-5-11-31-51(49)73)69(75-57-37-17-21-41-61(57)79-62-42-22-18-38-58(62)75)68(72(3,4)78-55-35-15-9-27-47(55)48-28-10-16-36-56(48)78)70(66(67)50-30-6-12-32-52(50)74)76-59-39-19-23-43-63(59)80-64-44-24-20-40-60(64)76/h5-44H,1-4H3.
What are the key properties of 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine?
10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 1043.23 g/mol, XLogP of 20.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 163505828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).