About ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone)
ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone) (PubChem CID 158195212) has the molecular formula C168H188N8O8
and a molecular weight of 2447.40 g/mol. Its IUPAC name is ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone).
Molecular Properties
| Compound Name | ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone) |
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| PubChem CID | 158195212 |
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| Molecular Formula | C168H188N8O8 |
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| Molecular Weight | 2447.40 g/mol |
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| Exact Mass | 2445.46 |
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| IUPAC Name | ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone) |
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| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1ccc2ccccc2c1)c1ccc2ccccc2n1.O=C(c1ccc2ccccc2c1)c1ccc2ccccc2n1.O=C(c1ccc2ccccc2c1)c1ccccn1.O=C(c1ccc2ccccc2c1)c1ccccn1.O=C(c1ccccc1)c1nccc2ccccc12.O=C(c1ccccc1)c1nccc2ccccc12.O=C(c1ccccn1)c1cccc2ccccc12.O=C(c1ccccn1)c1cccc2ccccc12 |
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| InChI | InChI=1S/2C20H13NO.6C16H11NO.16C2H6/c2*22-20(17-10-9-14-5-1-2-7-16(14)13-17)19-12-11-15-6-3-4-8-18(15)21-19;2*18-16(15-10-3-4-11-17-15)14-9-5-7-12-6-1-2-8-13(12)14;2*18-16(15-7-3-4-10-17-15)14-9-8-12-5-1-2-6-13(12)11-14;2*18-16(13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15;16*1-2/h2*1-13H;6*1-11H;16*1-2H3 |
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| InChIKey | GAGIDUZPVYKTNM-UHFFFAOYSA-N |
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| XLogP | 46.45 |
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| TPSA | 239.68 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 184 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 2447.40 |
| LogP ≤ 5 | 46.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
Analyze ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone) with MolForge
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Frequently Asked Questions
What is the IUPAC name of ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone)?
The IUPAC name of ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone) (CID 158195212) is ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone).
What is the SMILES notation for ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone)?
The canonical SMILES for ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1ccc2ccccc2c1)c1ccc2ccccc2n1.O=C(c1ccc2ccccc2c1)c1ccc2ccccc2n1.O=C(c1ccc2ccccc2c1)c1ccccn1.O=C(c1ccc2ccccc2c1)c1ccccn1.O=C(c1ccccc1)c1nccc2ccccc12.O=C(c1ccccc1)c1nccc2ccccc12.O=C(c1ccccn1)c1cccc2ccccc12.O=C(c1ccccn1)c1cccc2ccccc12.
What is the InChIKey of ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone)?
The InChIKey is GAGIDUZPVYKTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13NO.6C16H11NO.16C2H6/c2*22-20(17-10-9-14-5-1-2-7-16(14)13-17)19-12-11-15-6-3-4-8-18(15)21-19;2*18-16(15-10-3-4-11-17-15)14-9-5-7-12-6-1-2-8-13(12)14;2*18-16(15-7-3-4-10-17-15)14-9-8-12-5-1-2-6-13(12)11-14;2*18-16(13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15;16*1-2/h2*1-13H;6*1-11H;16*1-2H3.
What are the key properties of ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone)?
ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone) has a molecular weight of 2447.40 g/mol, XLogP of 46.45, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone) is sourced from PubChem (CID 158195212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).