About [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
[9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone (PubChem CID 58084723) has the molecular formula C75H46N2O
and a molecular weight of 991.21 g/mol. Its IUPAC name is [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone.
Molecular Properties
| Compound Name | [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone |
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| PubChem CID | 58084723 |
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| Molecular Formula | C75H46N2O |
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| Molecular Weight | 991.21 g/mol |
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| Exact Mass | 990.36 |
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| IUPAC Name | [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone |
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| SMILES | O=C(c1ccc2c(c1)C(c1ccc(-n3c4ccccc4c4ccccc43)cc1)(c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2 |
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| InChI | InChI=1S/C75H46N2O/c78-73(48-34-44-58-56-20-4-12-28-66(56)75(68(58)46-48)64-26-10-2-17-53(64)54-18-3-11-27-65(54)75)47-33-43-57-55-19-1-9-25-63(55)74(67(57)45-47,49-35-39-51(40-36-49)76-69-29-13-5-21-59(69)60-22-6-14-30-70(60)76)50-37-41-52(42-38-50)77-71-31-15-7-23-61(71)62-24-8-16-32-72(62)77/h1-46H |
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| InChIKey | PETYEDZKAGYORK-UHFFFAOYSA-N |
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| XLogP | 17.82 |
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| TPSA | 26.93 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 78 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 991.21 |
| LogP ≤ 5 | 17.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
The IUPAC name of [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone (CID 58084723) is [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone.
What is the SMILES notation for [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
The canonical SMILES for [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone is O=C(c1ccc2c(c1)C(c1ccc(-n3c4ccccc4c4ccccc43)cc1)(c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
The InChIKey is PETYEDZKAGYORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46N2O/c78-73(48-34-44-58-56-20-4-12-28-66(56)75(68(58)46-48)64-26-10-2-17-53(64)54-18-3-11-27-65(54)75)47-33-43-57-55-19-1-9-25-63(55)74(67(57)45-47,49-35-39-51(40-36-49)76-69-29-13-5-21-59(69)60-22-6-14-30-70(60)76)50-37-41-52(42-38-50)77-71-31-15-7-23-61(71)62-24-8-16-32-72(62)77/h1-46H.
What are the key properties of [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
[9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone has a molecular weight of 991.21 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-bis(4-carbazol-9-ylphenyl)fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone is sourced from PubChem (CID 58084723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).