About 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole
3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole (PubChem CID 138715433) has the molecular formula C102H57FN4O4
and a molecular weight of 1421.60 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole.
Molecular Properties
| Compound Name | 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole |
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| PubChem CID | 138715433 |
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| Molecular Formula | C102H57FN4O4 |
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| Molecular Weight | 1421.60 g/mol |
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| Exact Mass | 1420.44 |
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| IUPAC Name | 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole |
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| SMILES | Fc1c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1-n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21 |
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| InChI | InChI=1S/C102H57FN4O4/c103-100-101(106-84-27-11-3-19-68(84)76-51-60(35-43-88(76)106)64-39-47-98-80(55-64)72-23-7-15-31-94(72)110-98)90(104-82-25-9-1-17-66(82)74-49-58(33-41-86(74)104)62-37-45-96-78(53-62)70-21-5-13-29-92(70)108-96)57-91(105-83-26-10-2-18-67(83)75-50-59(34-42-87(75)105)63-38-46-97-79(54-63)71-22-6-14-30-93(71)109-97)102(100)107-85-28-12-4-20-69(85)77-52-61(36-44-89(77)107)65-40-48-99-81(56-65)73-24-8-16-32-95(73)111-99/h1-57H |
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| InChIKey | BJEBYMCEXDDEJH-UHFFFAOYSA-N |
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| XLogP | 28.48 |
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| TPSA | 72.28 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 111 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1421.60 |
| LogP ≤ 5 | 28.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole (CID 138715433) is 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole is Fc1c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1-n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole?
The InChIKey is BJEBYMCEXDDEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H57FN4O4/c103-100-101(106-84-27-11-3-19-68(84)76-51-60(35-43-88(76)106)64-39-47-98-80(55-64)72-23-7-15-31-94(72)110-98)90(104-82-25-9-1-17-66(82)74-49-58(33-41-86(74)104)62-37-45-96-78(53-62)70-21-5-13-29-92(70)108-96)57-91(105-83-26-10-2-18-67(83)75-50-59(34-42-87(75)105)63-38-46-97-79(54-63)71-22-6-14-30-93(71)109-97)102(100)107-85-28-12-4-20-69(85)77-52-61(36-44-89(77)107)65-40-48-99-81(56-65)73-24-8-16-32-95(73)111-99/h1-57H.
What are the key properties of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole?
3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole has a molecular weight of 1421.60 g/mol, XLogP of 28.48, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole is sourced from PubChem (CID 138715433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).