About 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole
9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole (PubChem CID 88553943) has the molecular formula C71H46N4O2
and a molecular weight of 987.18 g/mol. Its IUPAC name is 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole.
Molecular Properties
| Compound Name | 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole |
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| PubChem CID | 88553943 |
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| Molecular Formula | C71H46N4O2 |
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| Molecular Weight | 987.18 g/mol |
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| Exact Mass | 986.36 |
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| IUPAC Name | 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole |
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| SMILES | c1ccc(-c2ccc3c(c2)C(c2ccc(Oc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)(c2ccc(Oc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)c2cc(-c4ccccn4)ccc2-3)nc1 |
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| InChI | InChI=1S/C71H46N4O2/c1-5-19-67-59(13-1)60-14-2-6-20-68(60)74(67)51-29-37-55(38-30-51)76-53-33-25-49(26-34-53)71(63-45-47(65-17-9-11-43-72-65)23-41-57(63)58-42-24-48(46-64(58)71)66-18-10-12-44-73-66)50-27-35-54(36-28-50)77-56-39-31-52(32-40-56)75-69-21-7-3-15-61(69)62-16-4-8-22-70(62)75/h1-46H |
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| InChIKey | CKVZBCXJMPJLFE-UHFFFAOYSA-N |
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| XLogP | 17.95 |
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| TPSA | 54.10 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 77 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 987.18 |
| LogP ≤ 5 | 17.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole (CID 88553943) is 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole is c1ccc(-c2ccc3c(c2)C(c2ccc(Oc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)(c2ccc(Oc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)c2cc(-c4ccccn4)ccc2-3)nc1.
What is the InChIKey of 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole?
The InChIKey is CKVZBCXJMPJLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N4O2/c1-5-19-67-59(13-1)60-14-2-6-20-68(60)74(67)51-29-37-55(38-30-51)76-53-33-25-49(26-34-53)71(63-45-47(65-17-9-11-43-72-65)23-41-57(63)58-42-24-48(46-64(58)71)66-18-10-12-44-73-66)50-27-35-54(36-28-50)77-56-39-31-52(32-40-56)75-69-21-7-3-15-61(69)62-16-4-8-22-70(62)75/h1-46H.
What are the key properties of 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole?
9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole has a molecular weight of 987.18 g/mol, XLogP of 17.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[9-[4-(4-carbazol-9-ylphenoxy)phenyl]-2,7-dipyridin-2-ylfluoren-9-yl]phenoxy]phenyl]carbazole is sourced from PubChem (CID 88553943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).