About 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine (PubChem CID 130270297) has the molecular formula C102H60N6O4
and a molecular weight of 1433.64 g/mol. Its IUPAC name is 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine.
Molecular Properties
| Compound Name | 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine |
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| PubChem CID | 130270297 |
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| Molecular Formula | C102H60N6O4 |
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| Molecular Weight | 1433.64 g/mol |
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| Exact Mass | 1432.47 |
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| IUPAC Name | 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine |
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| SMILES | c1ccc(-c2nc(-c3cccc(-c4ccncc4)c3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccc(-c6ccc7oc8c(-c9cc(-c%10cc(-c%11ccccc%11-c%11cccnc%11)nc(-c%11ccccc%11)n%10)cc(-c%10cccc%11c%10oc%10ccccc%10%11)c9)cccc8c7c6)cc45)c3)n2)cc1 |
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| InChI | InChI=1S/C102H60N6O4/c1-3-19-62(20-4-1)101-105-89(67-24-13-23-64(49-67)61-44-47-103-48-45-61)58-90(106-101)73-52-69(76-30-14-34-83-81-28-9-11-38-93(81)109-97(76)83)50-71(53-73)78-32-16-36-85-87-56-65(40-42-95(87)111-99(78)85)66-41-43-96-88(57-66)86-37-17-33-79(100(86)112-96)72-51-70(77-31-15-35-84-82-29-10-12-39-94(82)110-98(77)84)54-74(55-72)91-59-92(108-102(107-91)63-21-5-2-6-22-63)80-27-8-7-26-75(80)68-25-18-46-104-60-68/h1-60H |
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| InChIKey | YSQQZDFHQURRNX-UHFFFAOYSA-N |
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| XLogP | 27.33 |
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| TPSA | 129.90 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 112 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1433.64 |
| LogP ≤ 5 | 27.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine (CID 130270297) is 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3cccc(-c4ccncc4)c3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccc(-c6ccc7oc8c(-c9cc(-c%10cc(-c%11ccccc%11-c%11cccnc%11)nc(-c%11ccccc%11)n%10)cc(-c%10cccc%11c%10oc%10ccccc%10%11)c9)cccc8c7c6)cc45)c3)n2)cc1.
What is the InChIKey of 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is YSQQZDFHQURRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N6O4/c1-3-19-62(20-4-1)101-105-89(67-24-13-23-64(49-67)61-44-47-103-48-45-61)58-90(106-101)73-52-69(76-30-14-34-83-81-28-9-11-38-93(81)109-97(76)83)50-71(53-73)78-32-16-36-85-87-56-65(40-42-95(87)111-99(78)85)66-41-43-96-88(57-66)86-37-17-33-79(100(86)112-96)72-51-70(77-31-15-35-84-82-29-10-12-39-94(82)110-98(77)84)54-74(55-72)91-59-92(108-102(107-91)63-21-5-2-6-22-63)80-27-8-7-26-75(80)68-25-18-46-104-60-68/h1-60H.
What are the key properties of 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine?
4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 1433.64 g/mol, XLogP of 27.33, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-dibenzofuran-4-yl-5-[8-[6-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 130270297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).