About N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine
N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine (PubChem CID 59413521) has the molecular formula C58H41N3O
and a molecular weight of 795.99 g/mol. Its IUPAC name is N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine.
Molecular Properties
| Compound Name | N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine |
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| PubChem CID | 59413521 |
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| Molecular Formula | C58H41N3O |
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| Molecular Weight | 795.99 g/mol |
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| Exact Mass | 795.32 |
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| IUPAC Name | N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine |
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| SMILES | COc1ccc(N(c2ccc(C3(c4cccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1 |
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| InChI | InChI=1S/C58H41N3O/c1-62-51-30-28-50(29-31-51)61(57-23-9-13-40-12-2-3-18-52(40)57)49-26-24-47(25-27-49)58(55-21-6-4-19-53(55)54-20-5-7-22-56(54)58)48-17-8-14-41(37-48)44-34-45(42-15-10-32-59-38-42)36-46(35-44)43-16-11-33-60-39-43/h2-39H,1H3 |
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| InChIKey | BDKVWNADEMDEMQ-UHFFFAOYSA-N |
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| XLogP | 14.47 |
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| TPSA | 38.25 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 62 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 795.99 |
| LogP ≤ 5 | 14.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine (CID 59413521) is N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine is COc1ccc(N(c2ccc(C3(c4cccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
The InChIKey is BDKVWNADEMDEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O/c1-62-51-30-28-50(29-31-51)61(57-23-9-13-40-12-2-3-18-52(40)57)49-26-24-47(25-27-49)58(55-21-6-4-19-53(55)54-20-5-7-22-56(54)58)48-17-8-14-41(37-48)44-34-45(42-15-10-32-59-38-42)36-46(35-44)43-16-11-33-60-39-43/h2-39H,1H3.
What are the key properties of N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine has a molecular weight of 795.99 g/mol, XLogP of 14.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine is sourced from PubChem (CID 59413521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).