About (4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]
(4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole] (PubChem CID 160723081) has the molecular formula C102H110Cl2F4N8O10
and a molecular weight of 1754.95 g/mol. Its IUPAC name is (4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole].
Frequently Asked Questions
What is the IUPAC name of (4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]?
The IUPAC name of (4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole] (CID 160723081) is (4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole].
What is the SMILES notation for (4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]?
The canonical SMILES for (4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole] is CC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCCC21O[C@H](COCc2ccc(Cl)cc2)[C@@H](COCc2ccc(Cl)cc2)O1.CCC1COC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1.CCCC1COC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1.C[C@@H]1COC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1.
What is the InChIKey of (4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]?
The InChIKey is RTIWJQVJHIDIKE-BZJSHXJDSA-N. The full InChI is InChI=1S/C36H35Cl2FN2O4.C23H27FN2O2.C22H25FN2O2.C21H23FN2O2/c1-35-18-26-19-40-41(31-14-12-30(39)13-15-31)32(26)17-27(35)3-2-16-36(35)44-33(22-42-20-24-4-8-28(37)9-5-24)34(45-36)23-43-21-25-6-10-29(38)11-7-25;1-3-5-20-15-27-23(28-20)11-4-6-17-12-21-16(13-22(17,23)2)14-25-26(21)19-9-7-18(24)8-10-19;1-3-19-14-26-22(27-19)10-4-5-16-11-20-15(12-21(16,22)2)13-24-25(20)18-8-6-17(23)7-9-18;1-14-13-25-21(26-14)9-3-4-16-10-19-15(11-20(16,21)2)12-23-24(19)18-7-5-17(22)6-8-18/h4-15,17,19,33-34H,2-3,16,18,20-23H2,1H3;7-10,12,14,20H,3-6,11,13,15H2,1-2H3;6-9,11,13,19H,3-5,10,12,14H2,1-2H3;5-8,10,12,14H,3-4,9,11,13H2,1-2H3/t33-,34-,35?;20?,22-,23?;19?,21-,22?;14-,20+,21?/m1001/s1.
What are the key properties of (4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]?
(4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole] has a molecular weight of 1754.95 g/mol, XLogP of 22.35, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aS)-4-ethyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,4'aS)-1'-(4-fluorophenyl)-4,4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4'aS)-1'-(4-fluorophenyl)-4'a-methyl-4-propylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-4,5-bis[(4-chlorophenyl)methoxymethyl]-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole] is sourced from PubChem (CID 160723081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).