About 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (PubChem CID 137369292) has the molecular formula C68H38F6N6O2
and a molecular weight of 1085.08 g/mol. Its IUPAC name is 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.
Molecular Properties
| Compound Name | 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile |
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| PubChem CID | 137369292 |
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| Molecular Formula | C68H38F6N6O2 |
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| Molecular Weight | 1085.08 g/mol |
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| Exact Mass | 1084.30 |
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| IUPAC Name | 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile |
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| SMILES | N#Cc1c(-c2cccc3c2N(c2ccccc2)c2ccccc2O3)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)nc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-c1cccc2c1N(c1ccccc1)c1ccccc1O2 |
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| InChI | InChI=1S/C68H38F6N6O2/c69-67(70,71)40-33-35-46-44-21-7-9-25-51(44)79(55(46)37-40)65-61(48-23-15-31-59-63(48)77(42-17-3-1-4-18-42)53-27-11-13-29-57(53)81-59)50(39-75)62(66(76-65)80-52-26-10-8-22-45(52)47-36-34-41(38-56(47)80)68(72,73)74)49-24-16-32-60-64(49)78(43-19-5-2-6-20-43)54-28-12-14-30-58(54)82-60/h1-38H |
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| InChIKey | JLPZNNFSJUJEJK-UHFFFAOYSA-N |
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| XLogP | 19.67 |
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| TPSA | 71.48 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 82 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1085.08 |
| LogP ≤ 5 | 19.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The IUPAC name of 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (CID 137369292) is 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is N#Cc1c(-c2cccc3c2N(c2ccccc2)c2ccccc2O3)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)nc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-c1cccc2c1N(c1ccccc1)c1ccccc1O2.
What is the InChIKey of 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The InChIKey is JLPZNNFSJUJEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38F6N6O2/c69-67(70,71)40-33-35-46-44-21-7-9-25-51(44)79(55(46)37-40)65-61(48-23-15-31-59-63(48)77(42-17-3-1-4-18-42)53-27-11-13-29-57(53)81-59)50(39-75)62(66(76-65)80-52-26-10-8-22-45(52)47-36-34-41(38-56(47)80)68(72,73)74)49-24-16-32-60-64(49)78(43-19-5-2-6-20-43)54-28-12-14-30-58(54)82-60/h1-38H.
What are the key properties of 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile has a molecular weight of 1085.08 g/mol, XLogP of 19.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 137369292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).