About 9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one
9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one (PubChem CID 165033763) has the molecular formula C151H161N7O10S5
and a molecular weight of 2394.32 g/mol. Its IUPAC name is 9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one.
Frequently Asked Questions
What is the IUPAC name of 9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one?
The IUPAC name of 9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one (CID 165033763) is 9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one.
What is the SMILES notation for 9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one?
The canonical SMILES for 9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one is CC1(C)CC(=O)C2=C(Cc3ncoc3C2(C)c2ccccc2)C1.CCC1(CC)CC(=O)C2=C(Cc3ncsc3C2(CC)c2ccccc2)C1.CCC1(c2ccccc2)C2=C(Cc3ncoc31)CC(C)(C)CC2=O.CCC1(c2ccccc2)C2=C(Cc3ncsc31)CC1(CC1)CC2=O.CCC1(c2ccccc2)C2=C(Cc3ncsc31)CC1(CCC1)CC2=O.CCC1(c2ccccc2)C2=C(Cc3ncsc31)CC1(CCCC1)CC2=O.CCC1(c2ccccc2)C2=C(Cc3ncsc31)CC1(COC1)CC2=O.
What is the InChIKey of 9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one?
The InChIKey is NBIWZSTTZIAQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NOS.C23H27NOS.C22H23NOS.C21H21NO2S.C21H23NO2.C21H21NOS.C20H21NO2/c1-2-23(17-8-4-3-5-9-17)20-16(12-18-21(23)26-15-24-18)13-22(14-19(20)25)10-6-7-11-22;1-4-22(5-2)13-16-12-18-21(26-15-24-18)23(6-3,20(16)19(25)14-22)17-10-8-7-9-11-17;1-2-22(16-7-4-3-5-8-16)19-15(11-17-20(22)25-14-23-17)12-21(9-6-10-21)13-18(19)24;1-2-21(15-6-4-3-5-7-15)18-14(8-16-19(21)25-13-22-16)9-20(10-17(18)23)11-24-12-20;1-4-21(15-8-6-5-7-9-15)18-14(10-16-19(21)24-13-22-16)11-20(2,3)12-17(18)23;1-2-21(15-6-4-3-5-7-15)18-14(10-16-19(21)24-13-22-16)11-20(8-9-20)12-17(18)23;1-19(2)10-13-9-15-18(23-12-21-15)20(3,17(13)16(22)11-19)14-7-5-4-6-8-14/h3-5,8-9,15H,2,6-7,10-14H2,1H3;7-11,15H,4-6,12-14H2,1-3H3;3-5,7-8,14H,2,6,9-13H2,1H3;3-7,13H,2,8-12H2,1H3;5-9,13H,4,10-12H2,1-3H3;3-7,13H,2,8-12H2,1H3;4-8,12H,9-11H2,1-3H3.
What are the key properties of 9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one?
9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one has a molecular weight of 2394.32 g/mol, XLogP of 34.44, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one is sourced from PubChem (CID 165033763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).