About 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 156547373) has the molecular formula C57H35N3
and a molecular weight of 761.93 g/mol. Its IUPAC name is 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
Molecular Properties
| Compound Name | 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine |
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| PubChem CID | 156547373 |
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| Molecular Formula | C57H35N3 |
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| Molecular Weight | 761.93 g/mol |
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| Exact Mass | 761.28 |
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| IUPAC Name | 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine |
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| SMILES | c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc45)c4ccccc34)n2)cc1 |
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| InChI | InChI=1S/C57H35N3/c1-3-16-36(17-4-1)38-20-7-14-27-52(38)56-58-55(37-18-5-2-6-19-37)59-57(60-56)53-35-33-46(41-23-10-13-26-44(41)53)45-30-31-47(40-22-9-8-21-39(40)45)48-32-34-51-43-25-12-11-24-42(43)49-28-15-29-50(48)54(49)51/h1-35H |
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| InChIKey | BSWFEVOHMVKLGL-UHFFFAOYSA-N |
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| XLogP | 14.98 |
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| TPSA | 38.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 761.93 |
| LogP ≤ 5 | 14.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 156547373) is 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc45)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is BSWFEVOHMVKLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3/c1-3-16-36(17-4-1)38-20-7-14-27-52(38)56-58-55(37-18-5-2-6-19-37)59-57(60-56)53-35-33-46(41-23-10-13-26-44(41)53)45-30-31-47(40-22-9-8-21-39(40)45)48-32-34-51-43-25-12-11-24-42(43)49-28-15-29-50(48)54(49)51/h1-35H.
What are the key properties of 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 761.93 g/mol, XLogP of 14.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 156547373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).