About N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 121443771) has the molecular formula C64H41FN2O
and a molecular weight of 873.04 g/mol. Its IUPAC name is N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.
Molecular Properties
| Compound Name | N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine |
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| PubChem CID | 121443771 |
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| Molecular Formula | C64H41FN2O |
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| Molecular Weight | 873.04 g/mol |
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| Exact Mass | 872.32 |
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| IUPAC Name | N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine |
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| SMILES | Fc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)ccc43)cc2)cc1 |
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| InChI | InChI=1S/C64H41FN2O/c65-50-29-21-43(22-30-50)44-23-31-52(32-24-44)67-61-19-8-6-17-56(61)60-40-47(28-36-62(60)67)46-26-34-55(59(39-46)49-27-35-58-57-18-7-9-20-63(57)68-64(58)41-49)48-13-10-16-53(38-48)66(51-14-2-1-3-15-51)54-33-25-42-11-4-5-12-45(42)37-54/h1-41H |
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| InChIKey | ZDBOYBWJPWROSZ-UHFFFAOYSA-N |
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| XLogP | 18.11 |
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| TPSA | 21.31 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 | 68 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 873.04 |
| LogP ≤ 5 | 18.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 121443771) is N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is Fc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)ccc43)cc2)cc1.
What is the InChIKey of N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is ZDBOYBWJPWROSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41FN2O/c65-50-29-21-43(22-30-50)44-23-31-52(32-24-44)67-61-19-8-6-17-56(61)60-40-47(28-36-62(60)67)46-26-34-55(59(39-46)49-27-35-58-57-18-7-9-20-63(57)68-64(58)41-49)48-13-10-16-53(38-48)66(51-14-2-1-3-15-51)54-33-25-42-11-4-5-12-45(42)37-54/h1-41H.
What are the key properties of N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 873.04 g/mol, XLogP of 18.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-dibenzofuran-3-yl-4-[9-[4-(4-fluorophenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 121443771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).