About 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole (PubChem CID 90251047) has the molecular formula C54H30N4O2S
and a molecular weight of 798.93 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole.
Molecular Properties
| Compound Name | 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole |
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| PubChem CID | 90251047 |
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| Molecular Formula | C54H30N4O2S |
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| Molecular Weight | 798.93 g/mol |
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| Exact Mass | 798.21 |
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| IUPAC Name | 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole |
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| SMILES | c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccc4scc(-n5c6ccc(-c7ccc8oc9ccccc9c8c7)cc6c6cccnc65)c4c3)cc12 |
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| InChI | InChI=1S/C54H30N4O2S/c1-3-11-48-36(7-1)42-27-33(15-20-50(42)59-48)31-13-18-45-40(25-31)38-9-5-23-55-53(38)57(45)35-17-22-52-44(29-35)47(30-61-52)58-46-19-14-32(26-41(46)39-10-6-24-56-54(39)58)34-16-21-51-43(28-34)37-8-2-4-12-49(37)60-51/h1-30H |
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| InChIKey | URYHTECBRCOBMJ-UHFFFAOYSA-N |
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| XLogP | 15.02 |
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| TPSA | 61.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 61 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 798.93 |
| LogP ≤ 5 | 15.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole?
The IUPAC name of 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole (CID 90251047) is 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole?
The canonical SMILES for 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccc4scc(-n5c6ccc(-c7ccc8oc9ccccc9c8c7)cc6c6cccnc65)c4c3)cc12.
What is the InChIKey of 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole?
The InChIKey is URYHTECBRCOBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N4O2S/c1-3-11-48-36(7-1)42-27-33(15-20-50(42)59-48)31-13-18-45-40(25-31)38-9-5-23-55-53(38)57(45)35-17-22-52-44(29-35)47(30-61-52)58-46-19-14-32(26-41(46)39-10-6-24-56-54(39)58)34-16-21-51-43(28-34)37-8-2-4-12-49(37)60-51/h1-30H.
What are the key properties of 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole?
6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole has a molecular weight of 798.93 g/mol, XLogP of 15.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 90251047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).