About 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline
10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline (PubChem CID 58323778) has the molecular formula C62H38N2
and a molecular weight of 811.00 g/mol. Its IUPAC name is 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline.
Molecular Properties
| Compound Name | 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline |
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| PubChem CID | 58323778 |
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| Molecular Formula | C62H38N2 |
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| Molecular Weight | 811.00 g/mol |
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| Exact Mass | 810.30 |
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| IUPAC Name | 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline |
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| SMILES | c1ccc2cc(-c3c4ccc(-c5ccc6ccccc6n5)cc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccc(-c6cccc7ccc8cccnc8c67)cc5)cc34)ccc2c1 |
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| InChI | InChI=1S/C62H38N2/c1-3-12-46-35-50(26-20-39(46)9-1)59-54-32-29-49(58-33-30-43-11-5-6-17-57(43)64-58)38-56(54)60(51-27-21-40-10-2-4-13-47(40)36-51)53-31-28-48(37-55(53)59)41-18-22-42(23-19-41)52-16-7-14-44-24-25-45-15-8-34-63-62(45)61(44)52/h1-38H |
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| InChIKey | HLWDBZZVZPMBHD-UHFFFAOYSA-N |
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| XLogP | 16.88 |
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| TPSA | 25.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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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 | 811.00 |
| LogP ≤ 5 | 16.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline?
The IUPAC name of 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline (CID 58323778) is 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline.
What is the SMILES notation for 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline?
The canonical SMILES for 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline is c1ccc2cc(-c3c4ccc(-c5ccc6ccccc6n5)cc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccc(-c6cccc7ccc8cccnc8c67)cc5)cc34)ccc2c1.
What is the InChIKey of 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline?
The InChIKey is HLWDBZZVZPMBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2/c1-3-12-46-35-50(26-20-39(46)9-1)59-54-32-29-49(58-33-30-43-11-5-6-17-57(43)64-58)38-56(54)60(51-27-21-40-10-2-4-13-47(40)36-51)53-31-28-48(37-55(53)59)41-18-22-42(23-19-41)52-16-7-14-44-24-25-45-15-8-34-63-62(45)61(44)52/h1-38H.
What are the key properties of 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline?
10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline has a molecular weight of 811.00 g/mol, XLogP of 16.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 58323778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).