About N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine
N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine (PubChem CID 122659590) has the molecular formula C48H34N6O
and a molecular weight of 710.84 g/mol. Its IUPAC name is N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine.
Molecular Properties
| Compound Name | N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine |
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| PubChem CID | 122659590 |
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| Molecular Formula | C48H34N6O |
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| Molecular Weight | 710.84 g/mol |
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| Exact Mass | 710.28 |
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| IUPAC Name | N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine |
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| SMILES | c1cc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(-c5ccc(N(c6ccncc6)c6ccc(-c7ccncc7)cc6)cc5)o4)cc3)cc2)ccn1 |
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| InChI | InChI=1S/C48H34N6O/c1-9-41(10-2-35(1)37-19-27-49-28-20-37)53(45-23-31-51-32-24-45)43-13-5-39(6-14-43)47-17-18-48(55-47)40-7-15-44(16-8-40)54(46-25-33-52-34-26-46)42-11-3-36(4-12-42)38-21-29-50-30-22-38/h1-34H |
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| InChIKey | KRVJJKJCDPVVAL-UHFFFAOYSA-N |
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| XLogP | 12.47 |
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| TPSA | 71.18 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 710.84 |
| LogP ≤ 5 | 12.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine?
The IUPAC name of N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine (CID 122659590) is N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine.
What is the SMILES notation for N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine?
The canonical SMILES for N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine is c1cc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(-c5ccc(N(c6ccncc6)c6ccc(-c7ccncc7)cc6)cc5)o4)cc3)cc2)ccn1.
What is the InChIKey of N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine?
The InChIKey is KRVJJKJCDPVVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N6O/c1-9-41(10-2-35(1)37-19-27-49-28-20-37)53(45-23-31-51-32-24-45)43-13-5-39(6-14-43)47-17-18-48(55-47)40-7-15-44(16-8-40)54(46-25-33-52-34-26-46)42-11-3-36(4-12-42)38-21-29-50-30-22-38/h1-34H.
What are the key properties of N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine?
N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine has a molecular weight of 710.84 g/mol, XLogP of 12.47, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine is sourced from PubChem (CID 122659590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).