About (4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]
(4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole] (PubChem CID 159171094) has the molecular formula C108H124F4N8O16
and a molecular weight of 1866.21 g/mol. Its IUPAC name is (4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole].
Frequently Asked Questions
What is the IUPAC name of (4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]?
The IUPAC name of (4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole] (CID 159171094) is (4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole].
What is the SMILES notation for (4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]?
The canonical SMILES for (4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole] is CC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCCC21O[C@H](COCc2ccccc2)[C@@H](COCc2ccccc2)O1.COC[C@@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)CC32C)O[C@H]1COC.COC[C@@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@H]1COC.COC[C@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)CC32C)O[C@@H]1COC.
What is the InChIKey of (4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]?
The InChIKey is KLRVNGKCWIVNFX-HEWKLPNFSA-N. The full InChI is InChI=1S/C36H37FN2O4.3C24H29FN2O4/c1-35-20-28-21-38-39(31-16-14-30(37)15-17-31)32(28)19-29(35)13-8-18-36(35)42-33(24-40-22-26-9-4-2-5-10-26)34(43-36)25-41-23-27-11-6-3-7-12-27;3*1-23-12-16-13-26-27(19-8-6-18(25)7-9-19)20(16)11-17(23)5-4-10-24(23)30-21(14-28-2)22(31-24)15-29-3/h2-7,9-12,14-17,19,21,33-34H,8,13,18,20,22-25H2,1H3;3*6-9,11,13,21-22H,4-5,10,12,14-15H2,1-3H3/t33-,34-,35?;2*21-,22-,23?;21-,22-,23-/m1100/s1.
What are the key properties of (4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]?
(4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole] has a molecular weight of 1866.21 g/mol, XLogP of 18.80, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4'aS,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4'a-methyl-4,5-bis(phenylmethoxymethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4S,5S)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole];(4R,5R)-1'-(4-fluorophenyl)-4,5-bis(methoxymethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole] is sourced from PubChem (CID 159171094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).