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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)

C290H420F3N21O10S2Si3 — CID 161070998

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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)
SMILESCC(C)c1ccc(C(C)C)c(CO)c1.CC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.CC(C)c1ccc(C(C)C)c(F)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)c1ccc(C(C)C)cc1.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)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1CCC2.CC(C)c1nnc(C(C)C)c2c1CCC2=O.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C
InChIInChI=1S/2C15H24OSi.C15H20O.C15H26Si.C14H18F2O.2C14H19NO.C14H18S.C13H18N2O.C13H18N2.C13H20N2.C13H17NO.C13H20O.3C13H20.C12H17F.C12H16N2O.C12H16N2S.C12H18.2C11H16N4/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;1-11(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)12-10-6-5-7-11(10)13(9(3)4)15-14-12;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;3*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-8(2)10-5-6-11(9(3)4)12(13)7-10;2*1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8/h2*7-8,10-11H,9H2,1-6H3;5-6,9-10H,7-8H2,1-4H3;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;8-9H,5-7H2,1-4H3;5-9H,1-4H3;5-7,9-10,14H,8H2,1-4H3;3*6-10H,1-5H3;5-9H,1-4H3;2*5-8H,1-4H3;5-10H,1-4H3;2*6-7H,5H2,1-4H3
InChIKeyUEQQEPSIINNIHV-UHFFFAOYSA-N
MW4566.07 g/mol
LogP80.96
Rot. Bonds47

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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)

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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene) (PubChem CID 161070998) has the molecular formula C290H420F3N21O10S2Si3 and a molecular weight of 4566.07 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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene).

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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)
PubChem CID161070998
Molecular FormulaC290H420F3N21O10S2Si3
Molecular Weight4566.07 g/mol
Exact Mass4562.17
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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)
SMILESCC(C)c1ccc(C(C)C)c(CO)c1.CC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.CC(C)c1ccc(C(C)C)c(F)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)c1ccc(C(C)C)cc1.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)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1CCC2.CC(C)c1nnc(C(C)C)c2c1CCC2=O.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C
InChIInChI=1S/2C15H24OSi.C15H20O.C15H26Si.C14H18F2O.2C14H19NO.C14H18S.C13H18N2O.C13H18N2.C13H20N2.C13H17NO.C13H20O.3C13H20.C12H17F.C12H16N2O.C12H16N2S.C12H18.2C11H16N4/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;1-11(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)12-10-6-5-7-11(10)13(9(3)4)15-14-12;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;3*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-8(2)10-5-6-11(9(3)4)12(13)7-10;2*1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8/h2*7-8,10-11H,9H2,1-6H3;5-6,9-10H,7-8H2,1-4H3;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;8-9H,5-7H2,1-4H3;5-9H,1-4H3;5-7,9-10,14H,8H2,1-4H3;3*6-10H,1-5H3;5-9H,1-4H3;2*5-8H,1-4H3;5-10H,1-4H3;2*6-7H,5H2,1-4H3
InChIKeyUEQQEPSIINNIHV-UHFFFAOYSA-N
XLogP80.96
TPSA413.95 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds47
Heavy Atoms329
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004566.07
LogP ≤ 580.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene) with MolForge

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Related Compounds

2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);[2,5-di(propan-2-yl)phenyl]methanol;2,5-di(propan-2-yl)pyridine;[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;2-fluoro-1,4-di(propan-2-yl)benzene;3-methoxy-2,5-di(propan-2-yl)pyridine;2-methyl-1,4-di(propan-2-yl)benzene
CID 158545299
2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-3H-2-benzofuran-1-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-1H-furo[3,4-c]pyridin-3-one;bis(1,4-di(propan-2-yl)-7H-furo[3,4-d]pyridazin-5-one);4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[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)-[1,2,5]thiadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;2-fluoro-2-methyl-4,7-di(propan-2-yl)-3H-1-benzofuran;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene)
CID 159004141
CID 160247909
CID 160247909
CID 160677969
CID 160677969
2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-3H-2-benzofuran-1-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-3H-furo[3,4-c]pyridin-1-one;1,4-di(propan-2-yl)-7H-furo[3,4-d]pyridazin-5-one;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;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;2,5-di(propan-2-yl)pyridine;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;2-fluoro-1,4-di(propan-2-yl)benzene;methane;3-methoxy-2,5-di(propan-2-yl)pyridine;tris(2-methyl-1,4-di(propan-2-yl)benzene);3-methylidene-4,7-di(propan-2-yl)-1H-furo[3,4-c]pyridine
CID 160801683
CID 161013949
CID 161013949
CID 161279329
CID 161279329
CID 161472059
CID 161472059
CID 161666972
CID 161666972
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)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
CID 157319661
CID 157468770
CID 157468770
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)-3H-2-benzofuran-1-one;4,7-di(propan-2-yl)-1-benzothiophene;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)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-1H-indene;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;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,2,5]thiadiazolo[3,4-d]pyridazine;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;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
CID 158297989

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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)?
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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene) (CID 161070998) 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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene).
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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)?
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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene) is CC(C)c1ccc(C(C)C)c(CO)c1.CC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.CC(C)c1ccc(C(C)C)c(F)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)c1ccc(C(C)C)cc1.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)c2c1=NCN=2.CC(C)c1nnc(C(C)C)c2c1CCC2.CC(C)c1nnc(C(C)C)c2c1CCC2=O.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.
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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)?
The InChIKey is UEQQEPSIINNIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24OSi.C15H20O.C15H26Si.C14H18F2O.2C14H19NO.C14H18S.C13H18N2O.C13H18N2.C13H20N2.C13H17NO.C13H20O.3C13H20.C12H17F.C12H16N2O.C12H16N2S.C12H18.2C11H16N4/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;1-11(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)12-10-6-5-7-11(10)13(9(3)4)15-14-12;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;3*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-8(2)10-5-6-11(9(3)4)12(13)7-10;2*1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-6(2)8-10-11(13-5-12-10)9(7(3)4)15-14-8/h2*7-8,10-11H,9H2,1-6H3;5-6,9-10H,7-8H2,1-4H3;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;8-9H,5-7H2,1-4H3;5-9H,1-4H3;5-7,9-10,14H,8H2,1-4H3;3*6-10H,1-5H3;5-9H,1-4H3;2*5-8H,1-4H3;5-10H,1-4H3;2*6-7H,5H2,1-4H3.
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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)?
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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene) has a molecular weight of 4566.07 g/mol, XLogP of 80.96, 47 rotatable bonds, 2 hydrogen bond donors, and 32 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;1,4-di(propan-2-yl)benzene;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-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;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;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene) is sourced from PubChem (CID 161070998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).