About 10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene)
10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene) (PubChem CID 160707147) has the molecular formula C146H89ClF43N18O+9
and a molecular weight of 2963.81 g/mol. Its IUPAC name is 10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene).
Frequently Asked Questions
What is the IUPAC name of 10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene)?
The IUPAC name of 10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene) (CID 160707147) is 10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene).
What is the SMILES notation for 10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene)?
The canonical SMILES for 10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene) is COc1ccc([N+]2=Cc3cccc4ccn(c34)C2)c(F)c1.FC(F)(F)C(F)(F)C(F)(F)C[N+]1=Cc2cccc3ccn(c23)C1.FC(F)(F)C(F)(F)C[N+]1=Cc2cccc3ccn(c23)C1.FC(F)(F)C[N+]1=Cc2cccc3ccn(c23)C1.FC(F)(F)C[N+]1=Cc2cccc3ccn(c23)C1.Fc1c(F)c(F)c(-c2c(F)c(F)c([N+]3=Cc4cccc5ccn(c45)C3)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c2c(F)c([N+]3=Cc4cccc5ccn(c45)C3)c(F)c(F)c2c1F.Fc1c(F)c(F)c2c([N+]3=Cc4cccc5ccn(c45)C3)c(F)c(F)c(F)c2c1F.Fc1ccc([N+]2=Cc3cccc4ccn(c34)C2)c(Cl)c1.
What is the InChIKey of 10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene)?
The InChIKey is UEOJDNNOBAFPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8F9N2.2C20H8F7N2.C17H14FN2O.C16H11ClFN2.C14H10F7N2.C13H10F5N2.2C12H10F3N2/c23-12-10(13(24)17(28)18(29)16(12)27)11-14(25)19(30)22(20(31)15(11)26)33-6-9-3-1-2-8-4-5-32(7-33)21(8)9;21-12-10-11(13(22)17(26)16(12)25)15(24)20(18(27)14(10)23)29-6-9-3-1-2-8-4-5-28(7-29)19(8)9;21-12-10-11(14(23)16(25)15(12)24)20(18(27)17(26)13(10)22)29-6-9-3-1-2-8-4-5-28(7-29)19(8)9;1-21-14-5-6-16(15(18)9-14)20-10-13-4-2-3-12-7-8-19(11-20)17(12)13;17-14-8-13(18)4-5-15(14)20-9-12-3-1-2-11-6-7-19(10-20)16(11)12;15-12(16,13(17,18)14(19,20)21)7-22-6-10-3-1-2-9-4-5-23(8-22)11(9)10;14-12(15,13(16,17)18)7-19-6-10-3-1-2-9-4-5-20(8-19)11(9)10;2*13-12(14,15)7-16-6-10-3-1-2-9-4-5-17(8-16)11(9)10/h1-6H,7H2;2*1-6H,7H2;2-10H,11H2,1H3;1-9H,10H2;1-6H,7-8H2;1-6H,7-8H2;2*1-6H,7-8H2/q9*+1.
What are the key properties of 10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene)?
10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene) has a molecular weight of 2963.81 g/mol, XLogP of 37.32, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-chloro-4-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluoro-4-methoxyphenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,4,4,4-heptafluorobutyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,2,3,3,3-pentafluoropropyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;bis(10-(2,2,2-trifluoroethyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene) is sourced from PubChem (CID 160707147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).