About bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium)
bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium) (PubChem CID 158992949) has the molecular formula C148H118Cl2F2O2S12+6
and a molecular weight of 2422.28 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium).
Molecular Properties
| Compound Name | bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium) |
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| PubChem CID | 158992949 |
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| Molecular Formula | C148H118Cl2F2O2S12+6 |
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| Molecular Weight | 2422.28 g/mol |
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| Exact Mass | 2418.51 |
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| IUPAC Name | bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium) |
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| SMILES | Cc1cc([S+](c2ccccc2)c2ccccc2C)ccc1Sc1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2C)ccc1Sc1ccccc1.Clc1cc([S+](c2ccccc2)c2ccccc2Cl)ccc1Sc1ccccc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(Sc3ccccc3)cc2)cc1.Oc1ccc([S+](c2ccc(O)cc2)c2ccc(Sc3ccccc3)cc2)cc1.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1 |
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| InChI | InChI=1S/2C26H23S2.C24H17Cl2S2.C24H17F2S2.C24H18O2S2.C24H19S2/c2*1-20-11-9-10-16-26(20)28(23-14-7-4-8-15-23)24-17-18-25(21(2)19-24)27-22-12-5-3-6-13-22;25-21-13-7-8-14-24(21)28(19-11-5-2-6-12-19)20-15-16-23(22(26)17-20)27-18-9-3-1-4-10-18;2*25-18-6-12-22(13-7-18)28(23-14-8-19(26)9-15-23)24-16-10-21(11-17-24)27-20-4-2-1-3-5-20;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h2*3-19H,1-2H3;2*1-17H;1-17H,(H-,25,26);1-19H/q4*+1;;+1/p+1 |
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| InChIKey | JQJVRHLKLMQMOO-UHFFFAOYSA-O |
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| XLogP | 43.83 |
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| TPSA | 40.46 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 30 |
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| Heavy Atoms | 166 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 2422.28 |
| LogP ≤ 5 | 43.83 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'} |
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Analyze bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium) with MolForge
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Frequently Asked Questions
What is the IUPAC name of bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium)?
The IUPAC name of bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium) (CID 158992949) is bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium).
What is the SMILES notation for bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium)?
The canonical SMILES for bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium) is Cc1cc([S+](c2ccccc2)c2ccccc2C)ccc1Sc1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2C)ccc1Sc1ccccc1.Clc1cc([S+](c2ccccc2)c2ccccc2Cl)ccc1Sc1ccccc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(Sc3ccccc3)cc2)cc1.Oc1ccc([S+](c2ccc(O)cc2)c2ccc(Sc3ccccc3)cc2)cc1.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium)?
The InChIKey is JQJVRHLKLMQMOO-UHFFFAOYSA-O. The full InChI is InChI=1S/2C26H23S2.C24H17Cl2S2.C24H17F2S2.C24H18O2S2.C24H19S2/c2*1-20-11-9-10-16-26(20)28(23-14-7-4-8-15-23)24-17-18-25(21(2)19-24)27-22-12-5-3-6-13-22;25-21-13-7-8-14-24(21)28(19-11-5-2-6-12-19)20-15-16-23(22(26)17-20)27-18-9-3-1-4-10-18;2*25-18-6-12-22(13-7-18)28(23-14-8-19(26)9-15-23)24-16-10-21(11-17-24)27-20-4-2-1-3-5-20;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h2*3-19H,1-2H3;2*1-17H;1-17H,(H-,25,26);1-19H/q4*+1;;+1/p+1.
What are the key properties of bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium)?
bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium) has a molecular weight of 2422.28 g/mol, XLogP of 43.83, 30 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium) is sourced from PubChem (CID 158992949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).