2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline

C306H474F4N22O7S2Si — CID 157452497

IUPAC2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCc2ccccc2C1.CC(C)N1CCc2ncccc21.CC(C)N1CCc2ncccc2C1.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)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)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)cn1.COc1nc(C(C)C)cnc1C(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2
InChIInChI=1S/C16H26Si.C14H18F2O.C14H20N2.C14H20O.C14H20.C13H16F2O2.C13H19N3.2C13H17NO.2C13H17NS.C12H17N.C11H18N2O.C11H16N2.2C11H17N.C10H14N2.C10H16N2.C10H12.C9H11N.C9H10.C8H9N.11C4H10/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)14-13(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;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;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)9-6-12-10(8(3)4)11(13-9)14-5;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-7(2)9-5-12-10(6-11-9)8(3)4;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;11*1-4(2)3/h7-8,11-12H,9-10H2,1-6H3;5-6,8-9H,7H2,1-4H3;6-10H,1-5H3;5-6,9-10H,7-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;4*5-9H,1-4H3;3-6,10H,7-9H2,1-2H3;6-8H,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;2*5-9H,1-4H3;3-4,6,8H,5,7H2,1-2H3;5-8H,1-4H3;1-2,5-6H,3-4,7-8H2;3,5,7H,1-2,4,6H2;1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;11*4H,1-3H3
InChIKeyBSYQZKMKWNHGLP-UHFFFAOYSA-N
MW4741.52 g/mol
LogP90.07
Rot. Bonds34

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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline

2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline (PubChem CID 157452497) has the molecular formula C306H474F4N22O7S2Si and a molecular weight of 4741.52 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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline.

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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
PubChem CID157452497
Molecular FormulaC306H474F4N22O7S2Si
Molecular Weight4741.52 g/mol
Exact Mass4737.66
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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCc2ccccc2C1.CC(C)N1CCc2ncccc21.CC(C)N1CCc2ncccc2C1.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)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)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)cn1.COc1nc(C(C)C)cnc1C(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2
InChIInChI=1S/C16H26Si.C14H18F2O.C14H20N2.C14H20O.C14H20.C13H16F2O2.C13H19N3.2C13H17NO.2C13H17NS.C12H17N.C11H18N2O.C11H16N2.2C11H17N.C10H14N2.C10H16N2.C10H12.C9H11N.C9H10.C8H9N.11C4H10/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)14-13(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;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;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)9-6-12-10(8(3)4)11(13-9)14-5;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-7(2)9-5-12-10(6-11-9)8(3)4;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;11*1-4(2)3/h7-8,11-12H,9-10H2,1-6H3;5-6,8-9H,7H2,1-4H3;6-10H,1-5H3;5-6,9-10H,7-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;4*5-9H,1-4H3;3-6,10H,7-9H2,1-2H3;6-8H,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;2*5-9H,1-4H3;3-4,6,8H,5,7H2,1-2H3;5-8H,1-4H3;1-2,5-6H,3-4,7-8H2;3,5,7H,1-2,4,6H2;1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;11*4H,1-3H3
InChIKeyBSYQZKMKWNHGLP-UHFFFAOYSA-N
XLogP90.07
TPSA311.14 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms342
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004741.52
LogP ≤ 590.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

CID 157118401
CID 157118401
CID 157248329
CID 157248329
CID 157314498
CID 157314498
CID 157666670
CID 157666670
CID 157680981
CID 157680981
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;methane;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157751482
bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 157942126
3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157959856
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157977904
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);methane;3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157978998
CID 158395365
CID 158395365
CID 158646509
CID 158646509

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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline?
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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline (CID 157452497) 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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline.
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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline?
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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCc2ccccc2C1.CC(C)N1CCc2ncccc21.CC(C)N1CCc2ncccc2C1.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)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)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)cn1.COc1nc(C(C)C)cnc1C(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.
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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline?
The InChIKey is BSYQZKMKWNHGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Si.C14H18F2O.C14H20N2.C14H20O.C14H20.C13H16F2O2.C13H19N3.2C13H17NO.2C13H17NS.C12H17N.C11H18N2O.C11H16N2.2C11H17N.C10H14N2.C10H16N2.C10H12.C9H11N.C9H10.C8H9N.11C4H10/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)14-13(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;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;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)9-6-12-10(8(3)4)11(13-9)14-5;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-7(2)9-5-12-10(6-11-9)8(3)4;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;11*1-4(2)3/h7-8,11-12H,9-10H2,1-6H3;5-6,8-9H,7H2,1-4H3;6-10H,1-5H3;5-6,9-10H,7-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;4*5-9H,1-4H3;3-6,10H,7-9H2,1-2H3;6-8H,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;2*5-9H,1-4H3;3-4,6,8H,5,7H2,1-2H3;5-8H,1-4H3;1-2,5-6H,3-4,7-8H2;3,5,7H,1-2,4,6H2;1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;11*4H,1-3H3.
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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline?
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline has a molecular weight of 4741.52 g/mol, XLogP of 90.07, 34 rotatable bonds, 0 hydrogen bond donors, and 31 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;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;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;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 157452497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).