About (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone
(4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone (PubChem CID 163988730) has the molecular formula C87H79ClF3N3O9S3
and a molecular weight of 1499.25 g/mol. Its IUPAC name is (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone.
Analyze (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone (CID 163988730) is (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone is Cc1ccc(C)c(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(CCN3CC(Oc4ccc5c(Oc6ccc(CCN7CC(Oc8ccc9c(Oc%10ccc(CCN%11CC[C@H](C)C%11)cc%10)c(C(=O)c%10ccccc%10C(F)(F)F)sc9c8)[C@H](C)C7)cc6)c(C(=O)c6ccc(Cl)cc6)sc5c4)[C@H](C)C3)cc2)c1.
What is the InChIKey of (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone?
The InChIKey is TYQSQJLBZIIEBE-NJODIZPASA-N. The full InChI is InChI=1S/C87H79ClF3N3O9S3/c1-51-10-11-53(3)71(42-51)80(98)86-82(68-31-22-61(95)43-75(68)104-86)102-63-27-16-58(17-28-63)37-41-93-47-54(4)73(49-93)99-65-29-32-69-76(44-65)105-84(78(96)59-18-20-60(88)21-19-59)81(69)101-62-25-14-57(15-26-62)36-40-94-48-55(5)74(50-94)100-66-30-33-70-77(45-66)106-85(79(97)67-8-6-7-9-72(67)87(89,90)91)83(70)103-64-23-12-56(13-24-64)35-39-92-38-34-52(2)46-92/h6-33,42-45,52,54-55,73-74,95H,34-41,46-50H2,1-5H3/t52-,54+,55+,73?,74?/m0/s1.
What are the key properties of (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone?
(4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone has a molecular weight of 1499.25 g/mol, XLogP of 21.16, 25 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone is sourced from PubChem (CID 163988730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).