About N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine
N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine (PubChem CID 126691153) has the molecular formula C47H33N3OS
and a molecular weight of 687.87 g/mol. Its IUPAC name is N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine.
Molecular Properties
| Compound Name | N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine |
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| PubChem CID | 126691153 |
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| Molecular Formula | C47H33N3OS |
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| Molecular Weight | 687.87 g/mol |
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| Exact Mass | 687.23 |
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| IUPAC Name | N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine |
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| SMILES | Cc1ccc2c(c1)oc1ccc(N(c3ccc(-c4ccc(-c5cccc6c7c(sc56)C=CCC7)nc4)cc3)c3ccc(-c4ccccc4)nc3)cc12 |
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| InChI | InChI=1S/C47H33N3OS/c1-30-14-22-37-41-27-35(21-25-44(41)51-45(37)26-30)50(36-20-24-42(49-29-36)32-8-3-2-4-9-32)34-18-15-31(16-19-34)33-17-23-43(48-28-33)40-12-7-11-39-38-10-5-6-13-46(38)52-47(39)40/h2-4,6-9,11-29H,5,10H2,1H3 |
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| InChIKey | WUHLJNBWRLPUAF-UHFFFAOYSA-N |
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| XLogP | 13.33 |
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| TPSA | 42.16 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 52 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 687.87 |
| LogP ≤ 5 | 13.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine?
The IUPAC name of N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine (CID 126691153) is N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine.
What is the SMILES notation for N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine?
The canonical SMILES for N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine is Cc1ccc2c(c1)oc1ccc(N(c3ccc(-c4ccc(-c5cccc6c7c(sc56)C=CCC7)nc4)cc3)c3ccc(-c4ccccc4)nc3)cc12.
What is the InChIKey of N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine?
The InChIKey is WUHLJNBWRLPUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3OS/c1-30-14-22-37-41-27-35(21-25-44(41)51-45(37)26-30)50(36-20-24-42(49-29-36)32-8-3-2-4-9-32)34-18-15-31(16-19-34)33-17-23-43(48-28-33)40-12-7-11-39-38-10-5-6-13-46(38)52-47(39)40/h2-4,6-9,11-29H,5,10H2,1H3.
What are the key properties of N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine?
N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine has a molecular weight of 687.87 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)-3-pyridinyl]phenyl]-N-(7-methyldibenzofuran-2-yl)-6-phenylpyridin-3-amine is sourced from PubChem (CID 126691153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).