About 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 87916558) has the molecular formula C62H37NOS
and a molecular weight of 844.05 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
Molecular Properties
| Compound Name | 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole |
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| PubChem CID | 87916558 |
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| Molecular Formula | C62H37NOS |
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| Molecular Weight | 844.05 g/mol |
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| Exact Mass | 843.26 |
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| IUPAC Name | 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole |
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| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)c3ccccc23)cc1 |
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| InChI | InChI=1S/C62H37NOS/c1-2-12-38(13-3-1)61-47-16-4-6-18-49(47)62(50-19-7-5-17-48(50)61)39-22-28-44(29-23-39)63-55-30-24-40(42-26-32-58-53(36-42)45-14-8-10-20-57(45)64-58)34-51(55)52-35-41(25-31-56(52)63)43-27-33-60-54(37-43)46-15-9-11-21-59(46)65-60/h1-37H |
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| InChIKey | VLNUTYZXDCOMGM-UHFFFAOYSA-N |
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| XLogP | 18.03 |
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| TPSA | 18.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 65 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 844.05 |
| LogP ≤ 5 | 18.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 87916558) is 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is VLNUTYZXDCOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NOS/c1-2-12-38(13-3-1)61-47-16-4-6-18-49(47)62(50-19-7-5-17-48(50)61)39-22-28-44(29-23-39)63-55-30-24-40(42-26-32-58-53(36-42)45-14-8-10-20-57(45)64-58)34-51(55)52-35-41(25-31-56(52)63)43-27-33-60-54(37-43)46-15-9-11-21-59(46)65-60/h1-37H.
What are the key properties of 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 844.05 g/mol, XLogP of 18.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 87916558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).