About 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine
10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine (PubChem CID 155121013) has the molecular formula C58H36N4O2
and a molecular weight of 820.95 g/mol. Its IUPAC name is 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine.
Molecular Properties
| Compound Name | 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine |
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| PubChem CID | 155121013 |
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| Molecular Formula | C58H36N4O2 |
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| Molecular Weight | 820.95 g/mol |
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| Exact Mass | 820.28 |
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| IUPAC Name | 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine |
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| SMILES | c1ccc(-n2ccc3cc4c(cc32)N(c2cccc(-c3cccc(-n5c6ccccc6c6cc7ccn(-c8cccc9oc%10ccccc%10c89)c7cc65)c3)c2)c2ccccc2O4)cc1 |
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| InChI | InChI=1S/C58H36N4O2/c1-2-15-41(16-3-1)59-29-27-40-34-57-53(36-50(40)59)62(48-22-7-9-25-55(48)64-57)43-18-11-14-38(32-43)37-13-10-17-42(31-37)61-47-21-6-4-19-44(47)46-33-39-28-30-60(51(39)35-52(46)61)49-23-12-26-56-58(49)45-20-5-8-24-54(45)63-56/h1-36H |
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| InChIKey | HJRRXGXTDBTLKX-UHFFFAOYSA-N |
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| XLogP | 15.81 |
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| TPSA | 40.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 64 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 820.95 |
| LogP ≤ 5 | 15.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine?
The IUPAC name of 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine (CID 155121013) is 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine.
What is the SMILES notation for 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine?
The canonical SMILES for 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine is c1ccc(-n2ccc3cc4c(cc32)N(c2cccc(-c3cccc(-n5c6ccccc6c6cc7ccn(-c8cccc9oc%10ccccc%10c89)c7cc65)c3)c2)c2ccccc2O4)cc1.
What is the InChIKey of 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine?
The InChIKey is HJRRXGXTDBTLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O2/c1-2-15-41(16-3-1)59-29-27-40-34-57-53(36-50(40)59)62(48-22-7-9-25-55(48)64-57)43-18-11-14-38(32-43)37-13-10-17-42(31-37)61-47-21-6-4-19-44(47)46-33-39-28-30-60(51(39)35-52(46)61)49-23-12-26-56-58(49)45-20-5-8-24-54(45)63-56/h1-36H.
What are the key properties of 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine?
10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine has a molecular weight of 820.95 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-(1-dibenzofuran-1-ylpyrrolo[2,3-b]carbazol-9-yl)phenyl]phenyl]-1-phenylpyrrolo[2,3-b]phenoxazine is sourced from PubChem (CID 155121013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).