About N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine
N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine (PubChem CID 164939398) has the molecular formula C58H36FN3O2
and a molecular weight of 825.94 g/mol. Its IUPAC name is N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine.
Molecular Properties
| Compound Name | N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine |
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| PubChem CID | 164939398 |
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| Molecular Formula | C58H36FN3O2 |
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| Molecular Weight | 825.94 g/mol |
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| Exact Mass | 825.28 |
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| IUPAC Name | N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine |
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| SMILES | Fc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)ccc4c3)ccc2c1 |
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| InChI | InChI=1S/C58H36FN3O2/c59-49-27-21-45-33-43(17-19-47(45)35-49)44-18-20-48-36-52(32-26-46(48)34-44)62(50-28-22-39(23-29-50)37-9-13-41(14-10-37)57-60-53-5-1-3-7-55(53)63-57)51-30-24-40(25-31-51)38-11-15-42(16-12-38)58-61-54-6-2-4-8-56(54)64-58/h1-36H |
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| InChIKey | APNIJGIYUVNPNU-UHFFFAOYSA-N |
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| XLogP | 16.22 |
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| TPSA | 55.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 64 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 825.94 |
| LogP ≤ 5 | 16.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine?
The IUPAC name of N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine (CID 164939398) is N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine.
What is the SMILES notation for N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine?
The canonical SMILES for N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine is Fc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)ccc4c3)ccc2c1.
What is the InChIKey of N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine?
The InChIKey is APNIJGIYUVNPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36FN3O2/c59-49-27-21-45-33-43(17-19-47(45)35-49)44-18-20-48-36-52(32-26-46(48)34-44)62(50-28-22-39(23-29-50)37-9-13-41(14-10-37)57-60-53-5-1-3-7-55(53)63-57)51-30-24-40(25-31-51)38-11-15-42(16-12-38)58-61-54-6-2-4-8-56(54)64-58/h1-36H.
What are the key properties of N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine?
N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine has a molecular weight of 825.94 g/mol, XLogP of 16.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine is sourced from PubChem (CID 164939398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).