2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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

C285H498F2N16O4S2Si — CID 159577608

IUPAC2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2CCCC2C=C1.C1=CC2CCCC2N=C1.CC.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC[Si]2(C)C.CC(C)(C)c1ccc(C(C)(C)C)c2c1OCC2(F)F.CC(C)(C)c1ccc(C(C)(C)C)c2ocnc12.CC(C)(C)c1ccc(C(C)(C)C)c2oncc12.CC(C)(C)c1ccc(C(C)(C)C)c2scnc12.CC(C)(C)c1ccc(C(C)(C)C)c2sncc12.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.Cn1cnc2c(C(C)(C)C)ccc(C(C)(C)C)c21.Cn1nnc2c(C(C)(C)C)ccc(C(C)(C)C)c21.c1ccc2c(c1)CCCC2.c1cnc2c(c1)CCCC2
InChIInChI=1S/C18H30Si.C16H22F2O.C16H24N2.C16H24O.C16H24.C15H23N3.2C15H21NO.2C15H21NS.C12H17N.C11H16N2.C10H14N2.C10H12.C9H11N.C9H12.C8H11N.10C4H10.C2H6.17CH4/c1-17(2,3)14-9-10-15(18(4,5)6)16-13(14)11-12-19(16,7)8;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16(17,18)9-19-13;1-15(2,3)11-8-9-12(16(4,5)6)14-13(11)17-10-18(14)7;1-15(2,3)12-7-8-13(16(4,5)6)14-11(12)9-10-17-14;1-15(2,3)13-9-10-14(16(4,5)6)12-8-7-11(12)13;1-14(2,3)10-8-9-11(15(4,5)6)13-12(10)16-17-18(13)7;1-14(2,3)11-7-8-12(15(4,5)6)13-10(11)9-16-17-13;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13;1-14(2,3)11-7-8-12(15(4,5)6)13-10(11)9-16-17-13;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)12-7-5-9-10(12)4-3-6-11-9;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;10*1-4(2)3;1-2;;;;;;;;;;;;;;;;;/h9-10H,11-12H2,1-8H3;7-8H,9H2,1-6H3;8-10H,1-7H3;7-8H,9-10H2,1-6H3;9-10H,7-8H2,1-6H3;8-9H,1-7H3;4*7-9H,1-6H3;3-6,10H,7-9H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;1-2,5-6H,3-4,7-8H2;3,5,7H,1-2,4,6H2;1-2,4-5,8-9H,3,6-7H2;2,4,6-8H,1,3,5H2;10*4H,1-3H3;1-2H3;17*1H4
InChIKeyMIPINODSMVENMV-UHFFFAOYSA-N
MW4343.44 g/mol
LogP87.94
Rot. Bonds3

About 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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

2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 159577608) has the molecular formula C285H498F2N16O4S2Si and a molecular weight of 4343.44 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 Name2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 CID159577608
Molecular FormulaC285H498F2N16O4S2Si
Molecular Weight4343.44 g/mol
Exact Mass4339.84
IUPAC Name2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2CCCC2C=C1.C1=CC2CCCC2N=C1.CC.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC[Si]2(C)C.CC(C)(C)c1ccc(C(C)(C)C)c2c1OCC2(F)F.CC(C)(C)c1ccc(C(C)(C)C)c2ocnc12.CC(C)(C)c1ccc(C(C)(C)C)c2oncc12.CC(C)(C)c1ccc(C(C)(C)C)c2scnc12.CC(C)(C)c1ccc(C(C)(C)C)c2sncc12.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.Cn1cnc2c(C(C)(C)C)ccc(C(C)(C)C)c21.Cn1nnc2c(C(C)(C)C)ccc(C(C)(C)C)c21.c1ccc2c(c1)CCCC2.c1cnc2c(c1)CCCC2
InChIInChI=1S/C18H30Si.C16H22F2O.C16H24N2.C16H24O.C16H24.C15H23N3.2C15H21NO.2C15H21NS.C12H17N.C11H16N2.C10H14N2.C10H12.C9H11N.C9H12.C8H11N.10C4H10.C2H6.17CH4/c1-17(2,3)14-9-10-15(18(4,5)6)16-13(14)11-12-19(16,7)8;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16(17,18)9-19-13;1-15(2,3)11-8-9-12(16(4,5)6)14-13(11)17-10-18(14)7;1-15(2,3)12-7-8-13(16(4,5)6)14-11(12)9-10-17-14;1-15(2,3)13-9-10-14(16(4,5)6)12-8-7-11(12)13;1-14(2,3)10-8-9-11(15(4,5)6)13-12(10)16-17-18(13)7;1-14(2,3)11-7-8-12(15(4,5)6)13-10(11)9-16-17-13;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13;1-14(2,3)11-7-8-12(15(4,5)6)13-10(11)9-16-17-13;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)12-7-5-9-10(12)4-3-6-11-9;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;10*1-4(2)3;1-2;;;;;;;;;;;;;;;;;/h9-10H,11-12H2,1-8H3;7-8H,9H2,1-6H3;8-10H,1-7H3;7-8H,9-10H2,1-6H3;9-10H,7-8H2,1-6H3;8-9H,1-7H3;4*7-9H,1-6H3;3-6,10H,7-9H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;1-2,5-6H,3-4,7-8H2;3,5,7H,1-2,4,6H2;1-2,4-5,8-9H,3,6-7H2;2,4,6-8H,1,3,5H2;10*4H,1-3H3;1-2H3;17*1H4
InChIKeyMIPINODSMVENMV-UHFFFAOYSA-N
XLogP87.94
TPSA205.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds3
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004343.44
LogP ≤ 587.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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
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
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

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 159577608) is 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2CCCC2C=C1.C1=CC2CCCC2N=C1.CC.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC[Si]2(C)C.CC(C)(C)c1ccc(C(C)(C)C)c2c1OCC2(F)F.CC(C)(C)c1ccc(C(C)(C)C)c2ocnc12.CC(C)(C)c1ccc(C(C)(C)C)c2oncc12.CC(C)(C)c1ccc(C(C)(C)C)c2scnc12.CC(C)(C)c1ccc(C(C)(C)C)c2sncc12.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.Cn1cnc2c(C(C)(C)C)ccc(C(C)(C)C)c21.Cn1nnc2c(C(C)(C)C)ccc(C(C)(C)C)c21.c1ccc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 MIPINODSMVENMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30Si.C16H22F2O.C16H24N2.C16H24O.C16H24.C15H23N3.2C15H21NO.2C15H21NS.C12H17N.C11H16N2.C10H14N2.C10H12.C9H11N.C9H12.C8H11N.10C4H10.C2H6.17CH4/c1-17(2,3)14-9-10-15(18(4,5)6)16-13(14)11-12-19(16,7)8;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16(17,18)9-19-13;1-15(2,3)11-8-9-12(16(4,5)6)14-13(11)17-10-18(14)7;1-15(2,3)12-7-8-13(16(4,5)6)14-11(12)9-10-17-14;1-15(2,3)13-9-10-14(16(4,5)6)12-8-7-11(12)13;1-14(2,3)10-8-9-11(15(4,5)6)13-12(10)16-17-18(13)7;1-14(2,3)11-7-8-12(15(4,5)6)13-10(11)9-16-17-13;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13;1-14(2,3)11-7-8-12(15(4,5)6)13-10(11)9-16-17-13;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)12-7-5-9-10(12)4-3-6-11-9;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;10*1-4(2)3;1-2;;;;;;;;;;;;;;;;;/h9-10H,11-12H2,1-8H3;7-8H,9H2,1-6H3;8-10H,1-7H3;7-8H,9-10H2,1-6H3;9-10H,7-8H2,1-6H3;8-9H,1-7H3;4*7-9H,1-6H3;3-6,10H,7-9H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;1-2,5-6H,3-4,7-8H2;3,5,7H,1-2,4,6H2;1-2,4-5,8-9H,3,6-7H2;2,4,6-8H,1,3,5H2;10*4H,1-3H3;1-2H3;17*1H4.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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?
2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 4343.44 g/mol, XLogP of 87.94, 3 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(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 159577608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).