1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene

C235H383Br2ClF4N10OS3 — CID 162269124

IUPAC1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.CC(C)(C)C(c1ccc(-c2ccccc2)cc1)C(C)(C)C.CC(C)(C)C(c1ccc(Br)cc1)C(C)(C)C.CC(C)(C)C(c1ccc(Br)cn1)C(C)(C)C.CC(C)(C)C(c1ccc(F)cn1)C(C)(C)C.CC(C)(C)C(c1ccc2ocnc2c1)C(C)(C)C.CC(C)(C)C(c1ccccc1C(F)(F)F)C(C)(C)C.CC(C)(C)C(c1cccnc1)C(C)(C)C.CC(C)(C)C(c1nc(Cl)cs1)C(C)(C)C.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1cccc2nc(C(C(C)(C)C)C(C)(C)C)ccc12.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C21H28.C19H27N.C16H23F3.C16H23NO.2C16H26.C15H23Br.2C15H25N.C14H22BrN.C14H22FN.C14H23N.2C13H23NS.C12H20ClNS.6CH4/c1-20(2,3)19(21(4,5)6)18-14-12-17(13-15-18)16-10-8-7-9-11-16;1-13-9-8-10-15-14(13)11-12-16(20-15)17(18(2,3)4)19(5,6)7;1-14(2,3)13(15(4,5)6)11-9-7-8-10-12(11)16(17,18)19;1-15(2,3)14(16(4,5)6)11-7-8-13-12(9-11)17-10-18-13;2*1-12-8-10-13(11-9-12)14(15(2,3)4)16(5,6)7;1-14(2,3)13(15(4,5)6)11-7-9-12(16)10-8-11;2*1-11-8-9-12(16-10-11)13(14(2,3)4)15(5,6)7;2*1-13(2,3)12(14(4,5)6)11-8-7-10(15)9-16-11;1-13(2,3)12(14(4,5)6)11-8-7-9-15-10-11;2*1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7;1-11(2,3)9(12(4,5)6)10-14-8(13)7-15-10;;;;;;/h7-15,19H,1-6H3;8-12,17H,1-7H3;7-10,13H,1-6H3;7-10,14H,1-6H3;2*8-11,14H,1-7H3;7-10,13H,1-6H3;2*8-10,13H,1-7H3;2*7-9,12H,1-6H3;7-10,12H,1-6H3;2*8,10H,1-7H3;7,9H,1-6H3;6*1H4
InChIKeyIYOROZOBMSQVRH-UHFFFAOYSA-N
MW3732.17 g/mol
LogP79.95
Rot. Bonds16

About 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene

1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene (PubChem CID 162269124) has the molecular formula C235H383Br2ClF4N10OS3 and a molecular weight of 3732.17 g/mol. Its IUPAC name is 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene
PubChem CID162269124
Molecular FormulaC235H383Br2ClF4N10OS3
Molecular Weight3732.17 g/mol
Exact Mass3726.74
IUPAC Name1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.CC(C)(C)C(c1ccc(-c2ccccc2)cc1)C(C)(C)C.CC(C)(C)C(c1ccc(Br)cc1)C(C)(C)C.CC(C)(C)C(c1ccc(Br)cn1)C(C)(C)C.CC(C)(C)C(c1ccc(F)cn1)C(C)(C)C.CC(C)(C)C(c1ccc2ocnc2c1)C(C)(C)C.CC(C)(C)C(c1ccccc1C(F)(F)F)C(C)(C)C.CC(C)(C)C(c1cccnc1)C(C)(C)C.CC(C)(C)C(c1nc(Cl)cs1)C(C)(C)C.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1cccc2nc(C(C(C)(C)C)C(C)(C)C)ccc12.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C21H28.C19H27N.C16H23F3.C16H23NO.2C16H26.C15H23Br.2C15H25N.C14H22BrN.C14H22FN.C14H23N.2C13H23NS.C12H20ClNS.6CH4/c1-20(2,3)19(21(4,5)6)18-14-12-17(13-15-18)16-10-8-7-9-11-16;1-13-9-8-10-15-14(13)11-12-16(20-15)17(18(2,3)4)19(5,6)7;1-14(2,3)13(15(4,5)6)11-9-7-8-10-12(11)16(17,18)19;1-15(2,3)14(16(4,5)6)11-7-8-13-12(9-11)17-10-18-13;2*1-12-8-10-13(11-9-12)14(15(2,3)4)16(5,6)7;1-14(2,3)13(15(4,5)6)11-7-9-12(16)10-8-11;2*1-11-8-9-12(16-10-11)13(14(2,3)4)15(5,6)7;2*1-13(2,3)12(14(4,5)6)11-8-7-10(15)9-16-11;1-13(2,3)12(14(4,5)6)11-8-7-9-15-10-11;2*1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7;1-11(2,3)9(12(4,5)6)10-14-8(13)7-15-10;;;;;;/h7-15,19H,1-6H3;8-12,17H,1-7H3;7-10,13H,1-6H3;7-10,14H,1-6H3;2*8-11,14H,1-7H3;7-10,13H,1-6H3;2*8-10,13H,1-7H3;2*7-9,12H,1-6H3;7-10,12H,1-6H3;2*8,10H,1-7H3;7,9H,1-6H3;6*1H4
InChIKeyIYOROZOBMSQVRH-UHFFFAOYSA-N
XLogP79.95
TPSA142.04 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003732.17
LogP ≤ 579.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene with MolForge

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Related Compounds

Methane;1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tris(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene
CID 162270588
Tris(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tris(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tris(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene;2-(2,2,4,4-tetramethylpentan-3-yl)-5-(trifluoromethyl)pyridine
CID 162303924
2-Tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
CID 157173301
Tert-butylbenzene;bis(6-tert-butyl-1,3-benzothiazole);5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-2-fluoro-3-methylbenzene;bis(1-tert-butyl-3-fluoro-5-methylbenzene);2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanobenzene;3-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(2-tert-butyl-4-methylpyridine);bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyridine;3-tert-butylpyridine
CID 158003281
6-Tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,5-difluorobenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);1-tert-butyl-2-isocyanobenzene;3-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(2-tert-butyl-4-methylpyridine);2-tert-butyl-5-methylpyridine;3-tert-butylpyridine
CID 160143326
Bis(6-tert-butyl-1,3-benzothiazole);5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;2-tert-butyl-4-chloropyridine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-3,5-difluorobenzene;2-tert-butyl-1,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;4-tert-butyl-2-fluorobenzonitrile;2-tert-butyl-4-fluoropyridine;2-tert-butyl-5-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylpyridine;3-tert-butylquinoline;6-tert-butylquinoline
CID 161176837
Methane;5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine
CID 162272615

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene (CID 162269124) is 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene is C.C.C.C.C.C.CC(C)(C)C(c1ccc(-c2ccccc2)cc1)C(C)(C)C.CC(C)(C)C(c1ccc(Br)cc1)C(C)(C)C.CC(C)(C)C(c1ccc(Br)cn1)C(C)(C)C.CC(C)(C)C(c1ccc(F)cn1)C(C)(C)C.CC(C)(C)C(c1ccc2ocnc2c1)C(C)(C)C.CC(C)(C)C(c1ccccc1C(F)(F)F)C(C)(C)C.CC(C)(C)C(c1cccnc1)C(C)(C)C.CC(C)(C)C(c1nc(Cl)cs1)C(C)(C)C.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1cccc2nc(C(C(C)(C)C)C(C)(C)C)ccc12.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1.
What is the InChIKey of 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene?
The InChIKey is IYOROZOBMSQVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28.C19H27N.C16H23F3.C16H23NO.2C16H26.C15H23Br.2C15H25N.C14H22BrN.C14H22FN.C14H23N.2C13H23NS.C12H20ClNS.6CH4/c1-20(2,3)19(21(4,5)6)18-14-12-17(13-15-18)16-10-8-7-9-11-16;1-13-9-8-10-15-14(13)11-12-16(20-15)17(18(2,3)4)19(5,6)7;1-14(2,3)13(15(4,5)6)11-9-7-8-10-12(11)16(17,18)19;1-15(2,3)14(16(4,5)6)11-7-8-13-12(9-11)17-10-18-13;2*1-12-8-10-13(11-9-12)14(15(2,3)4)16(5,6)7;1-14(2,3)13(15(4,5)6)11-7-9-12(16)10-8-11;2*1-11-8-9-12(16-10-11)13(14(2,3)4)15(5,6)7;2*1-13(2,3)12(14(4,5)6)11-8-7-10(15)9-16-11;1-13(2,3)12(14(4,5)6)11-8-7-9-15-10-11;2*1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7;1-11(2,3)9(12(4,5)6)10-14-8(13)7-15-10;;;;;;/h7-15,19H,1-6H3;8-12,17H,1-7H3;7-10,13H,1-6H3;7-10,14H,1-6H3;2*8-11,14H,1-7H3;7-10,13H,1-6H3;2*8-10,13H,1-7H3;2*7-9,12H,1-6H3;7-10,12H,1-6H3;2*8,10H,1-7H3;7,9H,1-6H3;6*1H4.
What are the key properties of 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene?
1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene has a molecular weight of 3732.17 g/mol, XLogP of 79.95, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-bromo-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;4-chloro-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;5-fluoro-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine;methane;bis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);bis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 162269124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).