About methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine
methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine (PubChem CID 142293828) has the molecular formula C45H40N2S
and a molecular weight of 640.90 g/mol. Its IUPAC name is methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine.
Molecular Properties
| Compound Name | methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine |
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| PubChem CID | 142293828 |
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| Molecular Formula | C45H40N2S |
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| Molecular Weight | 640.90 g/mol |
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| Exact Mass | 640.29 |
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| IUPAC Name | methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine |
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| SMILES | CN.CSc1ccc2ccccc2c1-c1ccc(-c2cccc(C(/C=C(\N)c3ccc(-c4ccccc4)cc3)c3ccccc3)c2)cc1 |
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| InChI | InChI=1S/C44H35NS.CH5N/c1-46-43-28-27-35-15-8-9-18-40(35)44(43)37-25-21-33(22-26-37)38-16-10-17-39(29-38)41(34-13-6-3-7-14-34)30-42(45)36-23-19-32(20-24-36)31-11-4-2-5-12-31;1-2/h2-30,41H,45H2,1H3;2H2,1H3/b42-30-; |
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| InChIKey | ZZOWRGBRYQBVFS-GMVALDORSA-N |
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| XLogP | 11.27 |
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| TPSA | 52.04 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 640.90 |
| LogP ≤ 5 | 11.27 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine?
The IUPAC name of methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine (CID 142293828) is methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine.
What is the SMILES notation for methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine?
The canonical SMILES for methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine is CN.CSc1ccc2ccccc2c1-c1ccc(-c2cccc(C(/C=C(\N)c3ccc(-c4ccccc4)cc3)c3ccccc3)c2)cc1.
What is the InChIKey of methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine?
The InChIKey is ZZOWRGBRYQBVFS-GMVALDORSA-N. The full InChI is InChI=1S/C44H35NS.CH5N/c1-46-43-28-27-35-15-8-9-18-40(35)44(43)37-25-21-33(22-26-37)38-16-10-17-39(29-38)41(34-13-6-3-7-14-34)30-42(45)36-23-19-32(20-24-36)31-11-4-2-5-12-31;1-2/h2-30,41H,45H2,1H3;2H2,1H3/b42-30-;.
What are the key properties of methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine?
methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine has a molecular weight of 640.90 g/mol, XLogP of 11.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 142293828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).