About bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate
bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate (PubChem CID 167636460) has the molecular formula C136H171F10N29O11
and a molecular weight of 2578.04 g/mol. Its IUPAC name is bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate.
Frequently Asked Questions
What is the IUPAC name of bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate?
The IUPAC name of bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate (CID 167636460) is bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate.
What is the SMILES notation for bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate?
The canonical SMILES for bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate is C=C1C2=C(c3cc(F)c(C)nc3N1C)N1CC(C)N(C)CC1C2.C=C1C2CN(C)C(C)CN2c2c(c(=O)n(C)c3nc(C)c(F)cc23)N1C.CC(=O)CN1CC2CN(C)C(C)CN2c2c1c(=O)n(C)c1c(F)c(C)c(F)cc21.CC(=O)CN1CC2CN(C)C(C)CN2c2c1c(=O)n(C)c1c(F)c(C)c(F)cc21.COC(=O)CN1CC2CN(C)C(C)CN2c2c1c(=O)n(C)c1c(F)c(C)c(F)cc21.Cc1nc2c(cc1F)c1c(c(=O)n2C)CCC2CN(C)C(C)CN12.Cc1nc2c(cc1F)c1c(c(=O)n2C)OCCC2CN(C)C(C)CN12.
What is the InChIKey of bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate?
The InChIKey is ONUYQMSZHCHSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O3.2C21H26F2N4O2.C19H24FN5O.C18H23FN4O2.C18H23FN4O.C18H23FN4/c1-11-7-27-13(8-24(11)3)9-26(10-16(28)30-5)20-19(27)14-6-15(22)12(2)17(23)18(14)25(4)21(20)29;2*1-11-7-27-14(9-24(11)4)10-26(8-12(2)28)20-19(27)15-6-16(22)13(3)17(23)18(15)25(5)21(20)29;1-10-8-25-15(9-22(10)4)12(3)23(5)17-16(25)13-7-14(20)11(2)21-18(13)24(6)19(17)26;1-10-8-23-12(9-21(10)3)5-6-25-16-15(23)13-7-14(19)11(2)20-17(13)22(4)18(16)24;1-10-8-23-12(9-21(10)3)5-6-13-16(23)14-7-15(19)11(2)20-17(14)22(4)18(13)24;1-10-8-23-13(9-21(10)4)6-14-12(3)22(5)18-15(17(14)23)7-16(19)11(2)20-18/h6,11,13H,7-10H2,1-5H3;2*6,11,14H,7-10H2,1-5H3;7,10,15H,3,8-9H2,1-2,4-6H3;7,10,12H,5-6,8-9H2,1-4H3;7,10,12H,5-6,8-9H2,1-4H3;7,10,13H,3,6,8-9H2,1-2,4-5H3.
What are the key properties of bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate?
bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate has a molecular weight of 2578.04 g/mol, XLogP of 13.69, 6 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(14,16-difluoro-4,5,12,15-tetramethyl-9-(2-oxopropyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one);16-fluoro-4,5,9,12,15-pentamethyl-8-methylidene-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;4-fluoro-5,8,14,15-tetramethyl-9-methylidene-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraene;17-fluoro-4,5,13,16-tetramethyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;16-fluoro-4,5,12,15-tetramethyl-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;methyl 2-(14,16-difluoro-4,5,12,15-tetramethyl-11-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-9-yl)acetate is sourced from PubChem (CID 167636460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).