About 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (PubChem CID 59609450) has the molecular formula C44H26F3N7
and a molecular weight of 709.74 g/mol. Its IUPAC name is 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.
Molecular Properties
| Compound Name | 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole |
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| PubChem CID | 59609450 |
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| Molecular Formula | C44H26F3N7 |
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| Molecular Weight | 709.74 g/mol |
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| Exact Mass | 709.22 |
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| IUPAC Name | 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole |
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| SMILES | FC(F)(F)c1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccncc54)cc3)cc(-c3cccc(-n4c5ccccc5c5ccncc54)n3)n2)n1 |
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| InChI | InChI=1S/C44H26F3N7/c45-44(46,47)42-13-5-9-34(51-42)36-23-28(27-15-17-29(18-16-27)53-38-11-3-1-7-30(38)32-19-21-48-25-40(32)53)24-37(50-36)35-10-6-14-43(52-35)54-39-12-4-2-8-31(39)33-20-22-49-26-41(33)54/h1-26H |
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| InChIKey | UVTVTHPIEXDPHJ-UHFFFAOYSA-N |
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| XLogP | 10.88 |
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| TPSA | 74.31 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 54 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 709.74 |
| LogP ≤ 5 | 10.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (CID 59609450) is 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is FC(F)(F)c1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccncc54)cc3)cc(-c3cccc(-n4c5ccccc5c5ccncc54)n3)n2)n1.
What is the InChIKey of 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The InChIKey is UVTVTHPIEXDPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26F3N7/c45-44(46,47)42-13-5-9-34(51-42)36-23-28(27-15-17-29(18-16-27)53-38-11-3-1-7-30(38)32-19-21-48-25-40(32)53)24-37(50-36)35-10-6-14-43(52-35)54-39-12-4-2-8-31(39)33-20-22-49-26-41(33)54/h1-26H.
What are the key properties of 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole has a molecular weight of 709.74 g/mol, XLogP of 10.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59609450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).