About 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole
5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 58351514) has the molecular formula C51H30F3N3
and a molecular weight of 741.82 g/mol. Its IUPAC name is 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole.
Molecular Properties
| Compound Name | 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole |
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| PubChem CID | 58351514 |
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| Molecular Formula | C51H30F3N3 |
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| Molecular Weight | 741.82 g/mol |
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| Exact Mass | 741.24 |
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| IUPAC Name | 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole |
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| SMILES | FC(F)(F)c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)nc(-n2c3ccccc3c3ncccc32)c1 |
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| InChI | InChI=1S/C51H30F3N3/c52-51(53,54)38-29-44(56-47(30-38)57-45-17-8-7-16-42(45)50-46(57)18-9-25-55-50)35-23-24-41-43(28-35)49(37-22-20-32-11-2-4-13-34(32)27-37)40-15-6-5-14-39(40)48(41)36-21-19-31-10-1-3-12-33(31)26-36/h1-30H |
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| InChIKey | WLYAGSXIBYPESA-UHFFFAOYSA-N |
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| XLogP | 14.21 |
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| TPSA | 30.71 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 57 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 741.82 |
| LogP ≤ 5 | 14.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole (CID 58351514) is 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole is FC(F)(F)c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)nc(-n2c3ccccc3c3ncccc32)c1.
What is the InChIKey of 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole?
The InChIKey is WLYAGSXIBYPESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30F3N3/c52-51(53,54)38-29-44(56-47(30-38)57-45-17-8-7-16-42(45)50-46(57)18-9-25-55-50)35-23-24-41-43(28-35)49(37-22-20-32-11-2-4-13-34(32)27-37)40-15-6-5-14-39(40)48(41)36-21-19-31-10-1-3-12-33(31)26-36/h1-30H.
What are the key properties of 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole?
5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole has a molecular weight of 741.82 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 58351514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).