2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole

C319H454F4N28O15S3Si — CID 159492728

IUPAC2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
SMILESCC(C)c1ccc(C(C)C)c2c1C=NC2.CC(C)c1ccc(C(C)C)c2c1CC2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CC[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCC2(F)F.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2c1ncn2C.CC(C)c1ccc(C(C)C)c2c1nnn2C.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2oncc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)c2sncc12.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1ncc(C(C)C)c2occc12.COc1cc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C
InChIInChI=1S/C16H26Si.C14H18F2O.C14H20N2.2C14H19N.C14H20O.C14H20.C13H16F2O2.C13H19N3.C13H19NO.C13H17NO.C13H19NO.2C13H17NO.2C13H17NS.C13H18O2.C12H16N2O.C12H16N2S.C12H19NO.2C11H18N2O.C11H17N.2C10H16N2/c1-11(2)13-7-8-14(12(3)4)16-15(13)9-10-17(16,5)6;1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;1-9(2)11-6-7-12(10(3)4)14-13(11)15-8-16(14)5;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-9(2)11-5-6-12(10(3)4)14-8-7-13(11)14;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;1-8(2)10-6-7-11(9(3)4)13-12(10)14-15-16(13)5;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-8(2)10-6-11(14-5)12(9(3)4)13-7-10;2*1-7(2)9-6-12-10(8(3)4)11(13-9)14-5;1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-7(2)9-5-12-10(6-11-9)8(3)4/h7-8,11-12H,9-10H2,1-6H3;5-6,8-9H,7H2,1-4H3;6-10H,1-5H3;5-7,9-10H,8H2,1-4H3;5,7-10H,6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;4*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*5-8H,1-4H3;6-9H,1-5H3;2*6-8H,1-5H3;5-9H,1-4H3;2*5-8H,1-4H3
InChIKeyLYJYXGRBHSOKLF-UHFFFAOYSA-N
MW5121.60 g/mol
LogP92.26
Rot. Bonds53

About 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole

2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole (PubChem CID 159492728) has the molecular formula C319H454F4N28O15S3Si and a molecular weight of 5121.60 g/mol. Its IUPAC name is 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole.

Molecular Properties

Compound Name2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
PubChem CID159492728
Molecular FormulaC319H454F4N28O15S3Si
Molecular Weight5121.60 g/mol
Exact Mass5117.45
IUPAC Name2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
SMILESCC(C)c1ccc(C(C)C)c2c1C=NC2.CC(C)c1ccc(C(C)C)c2c1CC2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CC[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCC2(F)F.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2c1ncn2C.CC(C)c1ccc(C(C)C)c2c1nnn2C.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2oncc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)c2sncc12.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1ncc(C(C)C)c2occc12.COc1cc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C
InChIInChI=1S/C16H26Si.C14H18F2O.C14H20N2.2C14H19N.C14H20O.C14H20.C13H16F2O2.C13H19N3.C13H19NO.C13H17NO.C13H19NO.2C13H17NO.2C13H17NS.C13H18O2.C12H16N2O.C12H16N2S.C12H19NO.2C11H18N2O.C11H17N.2C10H16N2/c1-11(2)13-7-8-14(12(3)4)16-15(13)9-10-17(16,5)6;1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;1-9(2)11-6-7-12(10(3)4)14-13(11)15-8-16(14)5;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-9(2)11-5-6-12(10(3)4)14-8-7-13(11)14;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;1-8(2)10-6-7-11(9(3)4)13-12(10)14-15-16(13)5;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-8(2)10-6-11(14-5)12(9(3)4)13-7-10;2*1-7(2)9-6-12-10(8(3)4)11(13-9)14-5;1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-7(2)9-5-12-10(6-11-9)8(3)4/h7-8,11-12H,9-10H2,1-6H3;5-6,8-9H,7H2,1-4H3;6-10H,1-5H3;5-7,9-10H,8H2,1-4H3;5,7-10H,6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;4*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*5-8H,1-4H3;6-9H,1-5H3;2*6-8H,1-5H3;5-9H,1-4H3;2*5-8H,1-4H3
InChIKeyLYJYXGRBHSOKLF-UHFFFAOYSA-N
XLogP92.26
TPSA498.56 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds53
Heavy Atoms370
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005121.60
LogP ≤ 592.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole?
The IUPAC name of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole (CID 159492728) is 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole.
What is the SMILES notation for 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole?
The canonical SMILES for 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole is CC(C)c1ccc(C(C)C)c2c1C=NC2.CC(C)c1ccc(C(C)C)c2c1CC2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CC[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCC2(F)F.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2c1ncn2C.CC(C)c1ccc(C(C)C)c2c1nnn2C.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2oncc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)c2sncc12.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1ncc(C(C)C)c2occc12.COc1cc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C.
What is the InChIKey of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole?
The InChIKey is LYJYXGRBHSOKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Si.C14H18F2O.C14H20N2.2C14H19N.C14H20O.C14H20.C13H16F2O2.C13H19N3.C13H19NO.C13H17NO.C13H19NO.2C13H17NO.2C13H17NS.C13H18O2.C12H16N2O.C12H16N2S.C12H19NO.2C11H18N2O.C11H17N.2C10H16N2/c1-11(2)13-7-8-14(12(3)4)16-15(13)9-10-17(16,5)6;1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;1-9(2)11-6-7-12(10(3)4)14-13(11)15-8-16(14)5;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-9(2)11-5-6-12(10(3)4)14-8-7-13(11)14;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;1-8(2)10-6-7-11(9(3)4)13-12(10)14-15-16(13)5;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-8(2)10-6-11(14-5)12(9(3)4)13-7-10;2*1-7(2)9-6-12-10(8(3)4)11(13-9)14-5;1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-7(2)9-5-12-10(6-11-9)8(3)4/h7-8,11-12H,9-10H2,1-6H3;5-6,8-9H,7H2,1-4H3;6-10H,1-5H3;5-7,9-10H,8H2,1-4H3;5,7-10H,6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;4*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*5-8H,1-4H3;6-9H,1-5H3;2*6-8H,1-5H3;5-9H,1-4H3;2*5-8H,1-4H3.
What are the key properties of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole?
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole has a molecular weight of 5121.60 g/mol, XLogP of 92.26, 53 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(2,5-di(propan-2-yl)pyrazine);2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole is sourced from PubChem (CID 159492728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).