About [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane
[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane (PubChem CID 142293774) has the molecular formula C61H38AlN3O3
and a molecular weight of 887.97 g/mol. Its IUPAC name is [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane.
Molecular Properties
| Compound Name | [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane |
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| PubChem CID | 142293774 |
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| Molecular Formula | C61H38AlN3O3 |
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| Molecular Weight | 887.97 g/mol |
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| Exact Mass | 887.27 |
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| IUPAC Name | [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane |
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| SMILES | c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6ccnc7c(O[Al](Oc8cccc9cccnc89)Oc8cccc9cccnc89)cccc67)ccc5c4)c4ccccc34)ccc2c1 |
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| InChI | InChI=1S/C43H27NO.2C9H7NO.Al/c45-40-15-7-14-39-34(22-23-44-43(39)40)31-19-17-30-26-33(21-18-29(30)24-31)42-37-12-5-3-10-35(37)41(36-11-4-6-13-38(36)42)32-20-16-27-8-1-2-9-28(27)25-32;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-26,45H;2*1-6,11H;/q;;;+3/p-3 |
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| InChIKey | RMVHPQJEHKEPBI-UHFFFAOYSA-K |
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| XLogP | 15.47 |
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| TPSA | 66.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 68 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 887.97 |
| LogP ≤ 5 | 15.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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 [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane?
The IUPAC name of [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane (CID 142293774) is [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane.
What is the SMILES notation for [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane?
The canonical SMILES for [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane is c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6ccnc7c(O[Al](Oc8cccc9cccnc89)Oc8cccc9cccnc89)cccc67)ccc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane?
The InChIKey is RMVHPQJEHKEPBI-UHFFFAOYSA-K. The full InChI is InChI=1S/C43H27NO.2C9H7NO.Al/c45-40-15-7-14-39-34(22-23-44-43(39)40)31-19-17-30-26-33(21-18-29(30)24-31)42-37-12-5-3-10-35(37)41(36-11-4-6-13-38(36)42)32-20-16-27-8-1-2-9-28(27)25-32;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-26,45H;2*1-6,11H;/q;;;+3/p-3.
What are the key properties of [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane?
[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane has a molecular weight of 887.97 g/mol, XLogP of 15.47, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane is sourced from PubChem (CID 142293774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).