About 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole
9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole (PubChem CID 146393818) has the molecular formula C61H35F6N5
and a molecular weight of 951.97 g/mol. Its IUPAC name is 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole.
Molecular Properties
| Compound Name | 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole |
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| PubChem CID | 146393818 |
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| Molecular Formula | C61H35F6N5 |
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| Molecular Weight | 951.97 g/mol |
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| Exact Mass | 951.28 |
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| IUPAC Name | 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole |
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| SMILES | FC(F)(F)c1cc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ncc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(C(F)(F)F)c1 |
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| InChI | InChI=1S/C61H35F6N5/c62-60(63,64)37-29-36(30-38(31-37)61(65,66)67)47-34-59(72-55-24-12-6-18-46(55)49-33-40(26-28-57(49)72)70-52-21-9-3-15-43(52)44-16-4-10-22-53(44)70)68-35-58(47)71-54-23-11-5-17-45(54)48-32-39(25-27-56(48)71)69-50-19-7-1-13-41(50)42-14-2-8-20-51(42)69/h1-35H |
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| InChIKey | MJINGYGHOLMNME-UHFFFAOYSA-N |
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| XLogP | 17.17 |
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| TPSA | 32.61 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 72 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 951.97 |
| LogP ≤ 5 | 17.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole?
The IUPAC name of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole (CID 146393818) is 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole.
What is the SMILES notation for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole?
The canonical SMILES for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole is FC(F)(F)c1cc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ncc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole?
The InChIKey is MJINGYGHOLMNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35F6N5/c62-60(63,64)37-29-36(30-38(31-37)61(65,66)67)47-34-59(72-55-24-12-6-18-46(55)49-33-40(26-28-57(49)72)70-52-21-9-3-15-43(52)44-16-4-10-22-53(44)70)68-35-58(47)71-54-23-11-5-17-45(54)48-32-39(25-27-56(48)71)69-50-19-7-1-13-41(50)42-14-2-8-20-51(42)69/h1-35H.
What are the key properties of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole?
9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole has a molecular weight of 951.97 g/mol, XLogP of 17.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-carbazol-9-ylcarbazole is sourced from PubChem (CID 146393818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).