About 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole
9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole (PubChem CID 69286037) has the molecular formula C60H37N3OS
and a molecular weight of 848.04 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole.
Molecular Properties
| Compound Name | 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole |
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| PubChem CID | 69286037 |
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| Molecular Formula | C60H37N3OS |
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| Molecular Weight | 848.04 g/mol |
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| Exact Mass | 847.27 |
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| IUPAC Name | 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole |
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| SMILES | C1=C(n2c3ccccc3c3ccccc32)c2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c5sc6ccccc6c5c4)cc3c2CC1n1c2ccccc2c2ccccc21 |
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| InChI | InChI=1S/C60H37N3OS/c1-8-22-49-39(15-1)40-16-2-9-23-50(40)61(49)38-34-47-46-31-36(29-30-57(46)64-59(47)55(35-38)62-51-24-10-3-17-41(51)42-18-4-11-25-52(42)62)37-32-48-45-21-7-14-28-58(45)65-60(48)56(33-37)63-53-26-12-5-19-43(53)44-20-6-13-27-54(44)63/h1-33,35,38H,34H2 |
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| InChIKey | BMXMFWRBYSXNCL-UHFFFAOYSA-N |
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| XLogP | 16.47 |
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| TPSA | 27.93 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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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 | 848.04 |
| LogP ≤ 5 | 16.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole (CID 69286037) is 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole is C1=C(n2c3ccccc3c3ccccc32)c2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c5sc6ccccc6c5c4)cc3c2CC1n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole?
The InChIKey is BMXMFWRBYSXNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3OS/c1-8-22-49-39(15-1)40-16-2-9-23-50(40)61(49)38-34-47-46-31-36(29-30-57(46)64-59(47)55(35-38)62-51-24-10-3-17-41(51)42-18-4-11-25-52(42)62)37-32-48-45-21-7-14-28-58(45)65-60(48)56(33-37)63-53-26-12-5-19-43(53)44-20-6-13-27-54(44)63/h1-33,35,38H,34H2.
What are the key properties of 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole?
9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole has a molecular weight of 848.04 g/mol, XLogP of 16.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole is sourced from PubChem (CID 69286037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).