About 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole (PubChem CID 58099749) has the molecular formula C66H40N2OS
and a molecular weight of 909.13 g/mol. Its IUPAC name is 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole.
Molecular Properties
| Compound Name | 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole |
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| PubChem CID | 58099749 |
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| Molecular Formula | C66H40N2OS |
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| Molecular Weight | 909.13 g/mol |
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| Exact Mass | 908.29 |
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| IUPAC Name | 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole |
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| SMILES | c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)c1 |
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| InChI | InChI=1S/C66H40N2OS/c1-6-25-59-50(20-1)51-21-2-7-26-60(51)67(59)48-18-12-16-43(35-48)44-30-32-63-56(37-44)58-40-47(42-15-11-14-41(34-42)45-31-33-65-57(38-45)54-24-5-10-29-64(54)70-65)39-55(66(58)69-63)46-17-13-19-49(36-46)68-61-27-8-3-22-52(61)53-23-4-9-28-62(53)68/h1-40H |
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| InChIKey | RIFXVJPKULWQFX-UHFFFAOYSA-N |
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| XLogP | 18.82 |
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| TPSA | 23.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 70 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 909.13 |
| LogP ≤ 5 | 18.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole (CID 58099749) is 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole is c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)c1.
What is the InChIKey of 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole?
The InChIKey is RIFXVJPKULWQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2OS/c1-6-25-59-50(20-1)51-21-2-7-26-60(51)67(59)48-18-12-16-43(35-48)44-30-32-63-56(37-44)58-40-47(42-15-11-14-41(34-42)45-31-33-65-57(38-45)54-24-5-10-29-64(54)70-65)39-55(66(58)69-63)46-17-13-19-49(36-46)68-61-27-8-3-22-52(61)53-23-4-9-28-62(53)68/h1-40H.
What are the key properties of 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole?
9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole has a molecular weight of 909.13 g/mol, XLogP of 18.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(3-carbazol-9-ylphenyl)-8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole is sourced from PubChem (CID 58099749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).