About N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine
N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine (PubChem CID 59413523) has the molecular formula C57H40N2O
and a molecular weight of 768.96 g/mol. Its IUPAC name is N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine.
Molecular Properties
| Compound Name | N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine |
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| PubChem CID | 59413523 |
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| Molecular Formula | C57H40N2O |
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| Molecular Weight | 768.96 g/mol |
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| Exact Mass | 768.31 |
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| IUPAC Name | N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine |
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| SMILES | COc1ccc(N(c2ccc(C3(c4cccc(-c5ccc(-c6nccc7ccccc67)cc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1 |
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| InChI | InChI=1S/C57H40N2O/c1-60-48-34-32-47(33-35-48)59(55-23-11-14-40-12-2-4-17-49(40)55)46-30-28-44(29-31-46)57(53-21-8-6-19-51(53)52-20-7-9-22-54(52)57)45-16-10-15-43(38-45)39-24-26-42(27-25-39)56-50-18-5-3-13-41(50)36-37-58-56/h2-38H,1H3 |
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| InChIKey | TVHZANVSWIKDRA-UHFFFAOYSA-N |
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| XLogP | 14.56 |
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| TPSA | 25.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 8 |
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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 | 768.96 |
| LogP ≤ 5 | 14.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine (CID 59413523) is N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine is COc1ccc(N(c2ccc(C3(c4cccc(-c5ccc(-c6nccc7ccccc67)cc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
The InChIKey is TVHZANVSWIKDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2O/c1-60-48-34-32-47(33-35-48)59(55-23-11-14-40-12-2-4-17-49(40)55)46-30-28-44(29-31-46)57(53-21-8-6-19-51(53)52-20-7-9-22-54(52)57)45-16-10-15-43(38-45)39-24-26-42(27-25-39)56-50-18-5-3-13-41(50)36-37-58-56/h2-38H,1H3.
What are the key properties of N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine has a molecular weight of 768.96 g/mol, XLogP of 14.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[3-(4-isoquinolin-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine is sourced from PubChem (CID 59413523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).