2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene

C311H446F2N32O15S4Si3 — CID 161279329

IUPAC2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
SMILESCC(C)c1ccc(C(C)C)c(CO)n1.CC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.CC(C)c1ccc(C(C)C)c2c1CC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1CCC2=O.CC(C)c1ccc(C(C)C)c2c1CO[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1C[Si](C)(C)O2.CC(C)c1ccc(C(C)C)c2sccc12.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1C(=O)CC2.CC(C)c1cnc(C(C)C)c2c1CCC2=O.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2ocnc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1CCC2=O.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1COC2.CC(C)c1nnc(C(C)C)c2nonc12.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1csc2c(C(C)C)ccc(C(C)C)c12
InChIInChI=1S/2C15H24OSi.C15H20O.C15H20S.C15H26Si.C14H18F2O.2C14H19NO.C14H18S.C13H18N2O.C13H18N2.C13H17NO.2C13H20.C12H18N2O.C12H16N2O.2C12H18N2O.C12H16N2S.C12H19NO.C11H16N4.C11H15N3O.C11H15N3S.C10H14N4O/c1-10(2)12-7-8-13(11(3)4)15-14(12)9-17(5,6)16-15;1-10(2)12-7-8-13(11(3)4)15-14(12)9-16-17(15,5)6;1-9(2)11-5-6-12(10(3)4)15-13(11)7-8-14(15)16;1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-11(2)13-7-8-15(12(3)4)14(9-13)10-16(5)6;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14(15,16)17-13;1-8(2)11-7-15-14(9(3)4)10-5-6-12(16)13(10)11;1-8(2)11-7-15-14(9(3)4)13-10(11)5-6-12(13)16;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-7(2)12-9-5-6-10(16)11(9)13(8(3)4)15-14-12;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-7(2)11-9-5-15-6-10(9)12(8(3)4)14-13-11;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;2*1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14;1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8;1-5(2)7-9-10(14-15-13-9)8(6(3)4)12-11-7/h2*7-8,10-11H,9H2,1-6H3;5-6,9-10H,7-8H2,1-4H3;6-10H,1-5H3;7-9,11-12,16H,10H2,1-6H3;5-6,8-9H,7H2,1-4H3;2*7-9H,5-6H2,1-4H3;5-10H,1-4H3;7-8H,5-6H2,1-4H3;5-9,14H,1-4H3;5-9H,1-4H3;2*6-10H,1-5H3;7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;5-6,8-9,14H,7H2,1-4H3;6-7H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3
InChIKeyVEWFKWZFFWEAEY-UHFFFAOYSA-N
MW5123.72 g/mol
LogP85.94
Rot. Bonds51

About 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene

2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene (PubChem CID 161279329) has the molecular formula C311H446F2N32O15S4Si3 and a molecular weight of 5123.72 g/mol. Its IUPAC name is 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
PubChem CID161279329
Molecular FormulaC311H446F2N32O15S4Si3
Molecular Weight5123.72 g/mol
Exact Mass5119.33
IUPAC Name2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
SMILESCC(C)c1ccc(C(C)C)c(CO)n1.CC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.CC(C)c1ccc(C(C)C)c2c1CC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1CCC2=O.CC(C)c1ccc(C(C)C)c2c1CO[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1C[Si](C)(C)O2.CC(C)c1ccc(C(C)C)c2sccc12.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1C(=O)CC2.CC(C)c1cnc(C(C)C)c2c1CCC2=O.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2ocnc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1CCC2=O.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1COC2.CC(C)c1nnc(C(C)C)c2nonc12.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1csc2c(C(C)C)ccc(C(C)C)c12
InChIInChI=1S/2C15H24OSi.C15H20O.C15H20S.C15H26Si.C14H18F2O.2C14H19NO.C14H18S.C13H18N2O.C13H18N2.C13H17NO.2C13H20.C12H18N2O.C12H16N2O.2C12H18N2O.C12H16N2S.C12H19NO.C11H16N4.C11H15N3O.C11H15N3S.C10H14N4O/c1-10(2)12-7-8-13(11(3)4)15-14(12)9-17(5,6)16-15;1-10(2)12-7-8-13(11(3)4)15-14(12)9-16-17(15,5)6;1-9(2)11-5-6-12(10(3)4)15-13(11)7-8-14(15)16;1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-11(2)13-7-8-15(12(3)4)14(9-13)10-16(5)6;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14(15,16)17-13;1-8(2)11-7-15-14(9(3)4)10-5-6-12(16)13(10)11;1-8(2)11-7-15-14(9(3)4)13-10(11)5-6-12(13)16;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-7(2)12-9-5-6-10(16)11(9)13(8(3)4)15-14-12;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-7(2)11-9-5-15-6-10(9)12(8(3)4)14-13-11;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;2*1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14;1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8;1-5(2)7-9-10(14-15-13-9)8(6(3)4)12-11-7/h2*7-8,10-11H,9H2,1-6H3;5-6,9-10H,7-8H2,1-4H3;6-10H,1-5H3;7-9,11-12,16H,10H2,1-6H3;5-6,8-9H,7H2,1-4H3;2*7-9H,5-6H2,1-4H3;5-10H,1-4H3;7-8H,5-6H2,1-4H3;5-9,14H,1-4H3;5-9H,1-4H3;2*6-10H,1-5H3;7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;5-6,8-9,14H,7H2,1-4H3;6-7H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3
InChIKeyVEWFKWZFFWEAEY-UHFFFAOYSA-N
XLogP85.94
TPSA610.77 Ų
H-Bond Donors2
H-Bond Acceptors50
Rotatable Bonds51
Heavy Atoms367
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005123.72
LogP ≤ 585.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1050

Analyze 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
The IUPAC name of 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene (CID 161279329) is 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene.
What is the SMILES notation for 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
The canonical SMILES for 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene is CC(C)c1ccc(C(C)C)c(CO)n1.CC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.CC(C)c1ccc(C(C)C)c2c1CC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1CCC2=O.CC(C)c1ccc(C(C)C)c2c1CO[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1C[Si](C)(C)O2.CC(C)c1ccc(C(C)C)c2sccc12.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1C(=O)CC2.CC(C)c1cnc(C(C)C)c2c1CCC2=O.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2ocnc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1CCC2=O.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1COC2.CC(C)c1nnc(C(C)C)c2nonc12.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1csc2c(C(C)C)ccc(C(C)C)c12.
What is the InChIKey of 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
The InChIKey is VEWFKWZFFWEAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24OSi.C15H20O.C15H20S.C15H26Si.C14H18F2O.2C14H19NO.C14H18S.C13H18N2O.C13H18N2.C13H17NO.2C13H20.C12H18N2O.C12H16N2O.2C12H18N2O.C12H16N2S.C12H19NO.C11H16N4.C11H15N3O.C11H15N3S.C10H14N4O/c1-10(2)12-7-8-13(11(3)4)15-14(12)9-17(5,6)16-15;1-10(2)12-7-8-13(11(3)4)15-14(12)9-16-17(15,5)6;1-9(2)11-5-6-12(10(3)4)15-13(11)7-8-14(15)16;1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-11(2)13-7-8-15(12(3)4)14(9-13)10-16(5)6;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14(15,16)17-13;1-8(2)11-7-15-14(9(3)4)10-5-6-12(16)13(10)11;1-8(2)11-7-15-14(9(3)4)13-10(11)5-6-12(13)16;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-7(2)12-9-5-6-10(16)11(9)13(8(3)4)15-14-12;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-7(2)11-9-5-15-6-10(9)12(8(3)4)14-13-11;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;2*1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14;1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8;1-5(2)7-9-10(14-15-13-9)8(6(3)4)12-11-7/h2*7-8,10-11H,9H2,1-6H3;5-6,9-10H,7-8H2,1-4H3;6-10H,1-5H3;7-9,11-12,16H,10H2,1-6H3;5-6,8-9H,7H2,1-4H3;2*7-9H,5-6H2,1-4H3;5-10H,1-4H3;7-8H,5-6H2,1-4H3;5-9,14H,1-4H3;5-9H,1-4H3;2*6-10H,1-5H3;7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;5-6,8-9,14H,7H2,1-4H3;6-7H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene has a molecular weight of 5123.72 g/mol, XLogP of 85.94, 51 rotatable bonds, 2 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;[3,6-di(propan-2-yl)-2-pyridinyl]methanol;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene is sourced from PubChem (CID 161279329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).