About 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine
2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine (PubChem CID 126761440) has the molecular formula C43H28N4O2
and a molecular weight of 632.72 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine.
Molecular Properties
| Compound Name | 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine |
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| PubChem CID | 126761440 |
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| Molecular Formula | C43H28N4O2 |
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| Molecular Weight | 632.72 g/mol |
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| Exact Mass | 632.22 |
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| IUPAC Name | 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine |
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| SMILES | C=Cc1oc2c(-c3ncc(-c4ccc5ccc(-c6cnc(-c7cccc8c7oc7ccccc78)nc6)cc5c4)cn3)cccc2c1/C=C\C |
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| InChI | InChI=1S/C43H28N4O2/c1-3-9-32-34-11-7-13-36(40(34)48-38(32)4-2)42-44-22-30(23-45-42)27-18-16-26-17-19-28(21-29(26)20-27)31-24-46-43(47-25-31)37-14-8-12-35-33-10-5-6-15-39(33)49-41(35)37/h3-25H,2H2,1H3/b9-3- |
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| InChIKey | WZKKBAGCYYWLEW-OQFOIZHKSA-N |
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| XLogP | 11.41 |
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| TPSA | 77.84 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 632.72 |
| LogP ≤ 5 | 11.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine (CID 126761440) is 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine is C=Cc1oc2c(-c3ncc(-c4ccc5ccc(-c6cnc(-c7cccc8c7oc7ccccc78)nc6)cc5c4)cn3)cccc2c1/C=C\C.
What is the InChIKey of 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine?
The InChIKey is WZKKBAGCYYWLEW-OQFOIZHKSA-N. The full InChI is InChI=1S/C43H28N4O2/c1-3-9-32-34-11-7-13-36(40(34)48-38(32)4-2)42-44-22-30(23-45-42)27-18-16-26-17-19-28(21-29(26)20-27)31-24-46-43(47-25-31)37-14-8-12-35-33-10-5-6-15-39(33)49-41(35)37/h3-25H,2H2,1H3/b9-3-.
What are the key properties of 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine?
2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine has a molecular weight of 632.72 g/mol, XLogP of 11.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-[7-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]pyrimidin-5-yl]naphthalen-2-yl]pyrimidine is sourced from PubChem (CID 126761440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).