About 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole (PubChem CID 58792973) has the molecular formula C57H37BrN2
and a molecular weight of 829.84 g/mol. Its IUPAC name is 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole.
Molecular Properties
| Compound Name | 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole |
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| PubChem CID | 58792973 |
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| Molecular Formula | C57H37BrN2 |
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| Molecular Weight | 829.84 g/mol |
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| Exact Mass | 828.21 |
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| IUPAC Name | 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole |
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| SMILES | Brc1ccc2c(c1)CC1(C2)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21 |
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| InChI | InChI=1S/C57H37BrN2/c58-42-24-17-40-34-57(35-41(40)31-42)51-32-38(36-18-25-43(26-19-36)59-53-13-5-1-9-47(53)48-10-2-6-14-54(48)59)22-29-45(51)46-30-23-39(33-52(46)57)37-20-27-44(28-21-37)60-55-15-7-3-11-49(55)50-12-4-8-16-56(50)60/h1-33H,34-35H2 |
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| InChIKey | YKDLZOQMOHDQKN-UHFFFAOYSA-N |
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| XLogP | 15.04 |
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| TPSA | 9.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 829.84 |
| LogP ≤ 5 | 15.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole (CID 58792973) is 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole is Brc1ccc2c(c1)CC1(C2)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.
What is the InChIKey of 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
The InChIKey is YKDLZOQMOHDQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37BrN2/c58-42-24-17-40-34-57(35-41(40)31-42)51-32-38(36-18-25-43(26-19-36)59-53-13-5-1-9-47(53)48-10-2-6-14-54(48)59)22-29-45(51)46-30-23-39(33-52(46)57)37-20-27-44(28-21-37)60-55-15-7-3-11-49(55)50-12-4-8-16-56(50)60/h1-33H,34-35H2.
What are the key properties of 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole has a molecular weight of 829.84 g/mol, XLogP of 15.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole is sourced from PubChem (CID 58792973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).