About 2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 158120924) has the molecular formula C135H114Cl7F9N28O7
and a molecular weight of 2659.74 g/mol. Its IUPAC name is 2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
Frequently Asked Questions
What is the IUPAC name of 2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The IUPAC name of 2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 158120924) is 2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
What is the SMILES notation for 2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The canonical SMILES for 2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is Cc1ccc2nc(C)c3cnc(-c4cc(C(O)CC(F)(F)F)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(CC(C)O)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(CCO)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(OC(F)(F)F)ccc4Cl)n3c2n1.Cc1nc2cccnc2n2c(-c3cc(CC(C)O)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OC(C)(C)C)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OC(C)C(F)(F)F)ccc3Cl)ncc12.
What is the InChIKey of 2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is FRPCIPAIOVHLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O.2C20H19ClN4O.C19H14ClF3N4O.2C19H17ClN4O.C18H12ClF3N4O/c1-10-3-6-15-19(26-10)28-16(11(2)27-15)9-25-18(28)13-7-12(4-5-14(13)21)17(29)8-20(22,23)24;1-12-17-11-23-18(25(17)19-16(24-12)6-5-9-22-19)14-10-13(7-8-15(14)21)26-20(2,3)4;1-11-4-7-17-20(23-11)25-18(13(3)24-17)10-22-19(25)15-9-14(8-12(2)26)5-6-16(15)21;1-10-16-9-25-17(27(16)18-15(26-10)4-3-7-24-18)13-8-12(5-6-14(13)20)28-11(2)19(21,22)23;1-11-3-6-16-19(22-11)24-17(12(2)23-16)10-21-18(24)14-9-13(7-8-25)4-5-15(14)20;1-11(25)8-13-5-6-15(20)14(9-13)18-22-10-17-12(2)23-16-4-3-7-21-19(16)24(17)18;1-9-3-6-14-17(24-9)26-15(10(2)25-14)8-23-16(26)12-7-11(4-5-13(12)19)27-18(20,21)22/h3-7,9,17,29H,8H2,1-2H3;5-11H,1-4H3;4-7,9-10,12,26H,8H2,1-3H3;3-9,11H,1-2H3;3-6,9-10,25H,7-8H2,1-2H3;3-7,9-11,25H,8H2,1-2H3;3-8H,1-2H3.
What are the key properties of 2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene has a molecular weight of 2659.74 g/mol, XLogP of 32.35, 19 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is sourced from PubChem (CID 158120924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).