About 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole
5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole (PubChem CID 58501546) has the molecular formula C55H33N7O
and a molecular weight of 807.92 g/mol. Its IUPAC name is 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole.
Molecular Properties
| Compound Name | 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole |
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| PubChem CID | 58501546 |
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| Molecular Formula | C55H33N7O |
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| Molecular Weight | 807.92 g/mol |
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| Exact Mass | 807.27 |
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| IUPAC Name | 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole |
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| SMILES | c1ccc(-c2ccc3c(n2)c2cc(-c4ccccc4-c4cncnc4)ccc2n3-c2ccnc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ncccc43)c2)cc1 |
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| InChI | InChI=1S/C55H33N7O/c1-2-9-34(10-3-1)46-19-22-50-55(60-46)45-29-37(40-11-4-5-12-41(40)38-31-56-33-57-32-38)17-21-47(45)61(50)39-24-26-58-53(30-39)62-48-20-16-35(28-44(48)54-49(62)14-8-25-59-54)36-18-23-52-43(27-36)42-13-6-7-15-51(42)63-52/h1-33H |
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| InChIKey | XRXOZWQIUAHOJV-UHFFFAOYSA-N |
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| XLogP | 13.42 |
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| TPSA | 87.45 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 63 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 807.92 |
| LogP ≤ 5 | 13.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole?
The IUPAC name of 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole (CID 58501546) is 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole?
The canonical SMILES for 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole is c1ccc(-c2ccc3c(n2)c2cc(-c4ccccc4-c4cncnc4)ccc2n3-c2ccnc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ncccc43)c2)cc1.
What is the InChIKey of 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole?
The InChIKey is XRXOZWQIUAHOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N7O/c1-2-9-34(10-3-1)46-19-22-50-55(60-46)45-29-37(40-11-4-5-12-41(40)38-31-56-33-57-32-38)17-21-47(45)61(50)39-24-26-58-53(30-39)62-48-20-16-35(28-44(48)54-49(62)14-8-25-59-54)36-18-23-52-43(27-36)42-13-6-7-15-51(42)63-52/h1-33H.
What are the key properties of 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole?
5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole has a molecular weight of 807.92 g/mol, XLogP of 13.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(8-dibenzofuran-2-ylpyrido[3,2-b]indol-5-yl)-4-pyridinyl]-2-phenyl-8-(2-pyrimidin-5-ylphenyl)pyrido[3,2-b]indole is sourced from PubChem (CID 58501546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).