About 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (PubChem CID 59219798) has the molecular formula C60H36N4O2
and a molecular weight of 844.97 g/mol. Its IUPAC name is 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.
Molecular Properties
| Compound Name | 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine |
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| PubChem CID | 59219798 |
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| Molecular Formula | C60H36N4O2 |
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| Molecular Weight | 844.97 g/mol |
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| Exact Mass | 844.28 |
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| IUPAC Name | 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine |
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| SMILES | c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccc5cccnc5c4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1 |
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| InChI | InChI=1S/C60H36N4O2/c1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-36H |
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| InChIKey | UUDFHGLPPATLFV-UHFFFAOYSA-N |
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| XLogP | 16.73 |
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| TPSA | 50.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 66 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 844.97 |
| LogP ≤ 5 | 16.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The IUPAC name of 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (CID 59219798) is 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccc5cccnc5c4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The InChIKey is UUDFHGLPPATLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4O2/c1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-36H.
What are the key properties of 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine has a molecular weight of 844.97 g/mol, XLogP of 16.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is sourced from PubChem (CID 59219798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).