About benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium)
benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium) (PubChem CID 163453414) has the molecular formula C40H38N4S4Y88
and a molecular weight of 8526.77 g/mol. Its IUPAC name is benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium).
Molecular Properties
| Compound Name | benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium) |
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| PubChem CID | 163453414 |
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| Molecular Formula | C40H38N4S4Y88 |
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| Molecular Weight | 8526.77 g/mol |
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| Exact Mass | 8525.91 |
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| IUPAC Name | benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium) |
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| SMILES | [Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccsc1.c1ccsc1.c1cscn1.c1cscn1 |
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| InChI | InChI=1S/C10H8.C6H6.2C5H5N.2C4H4S.2C3H3NS.88Y/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-8H;1-6H;2*1-5H;2*1-4H;2*1-3H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; |
|---|
| InChIKey | BIKNEVFKZZDBKI-UHFFFAOYSA-N |
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| XLogP | 12.25 |
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| TPSA | 51.56 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | |
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| Heavy Atoms | 136 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 8526.77 |
| LogP ≤ 5 | 12.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium)?
The IUPAC name of benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium) (CID 163453414) is benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium).
What is the SMILES notation for benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium)?
The canonical SMILES for benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium) is [Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccsc1.c1ccsc1.c1cscn1.c1cscn1.
What is the InChIKey of benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium)?
The InChIKey is BIKNEVFKZZDBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C6H6.2C5H5N.2C4H4S.2C3H3NS.88Y/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-8H;1-6H;2*1-5H;2*1-4H;2*1-3H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium)?
benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium) has a molecular weight of 8526.77 g/mol, XLogP of 12.25, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;naphthalene;bis(pyridine);bis(1,3-thiazole);thiophene;(yttrium) is sourced from PubChem (CID 163453414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).