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

C233H368F6N10OS3 — CID 162303924

IUPACtris(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
SMILESCC(C)(C)C(c1ccc(-c2ccccc2)cc1)C(C)(C)C.CC(C)(C)C(c1ccc(C(F)(F)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.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)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.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.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C21H28.C19H27N.C16H23F3.C16H23NO.3C16H26.C15H22F3N.3C15H25N.C14H23N.3C13H23NS/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;3*1-12-8-10-13(11-9-12)14(15(2,3)4)16(5,6)7;1-13(2,3)12(14(4,5)6)11-8-7-10(9-19-11)15(16,17)18;3*1-11-8-9-12(16-10-11)13(14(2,3)4)15(5,6)7;1-13(2,3)12(14(4,5)6)11-8-7-9-15-10-11;3*1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7/h7-15,19H,1-6H3;8-12,17H,1-7H3;7-10,13H,1-6H3;7-10,14H,1-6H3;3*8-11,14H,1-7H3;7-9,12H,1-6H3;3*8-10,13H,1-7H3;7-10,12H,1-6H3;3*8,10H,1-7H3
InChIKeyDDGGKMCJEFFYSH-UHFFFAOYSA-N
MW3535.76 g/mol
LogP75.76
Rot. Bonds16

About 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

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 (PubChem CID 162303924) has the molecular formula C233H368F6N10OS3 and a molecular weight of 3535.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametris(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
PubChem CID162303924
Molecular FormulaC233H368F6N10OS3
Molecular Weight3535.76 g/mol
Exact Mass3532.81
IUPAC Nametris(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
SMILESCC(C)(C)C(c1ccc(-c2ccccc2)cc1)C(C)(C)C.CC(C)(C)C(c1ccc(C(F)(F)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.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)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.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.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C21H28.C19H27N.C16H23F3.C16H23NO.3C16H26.C15H22F3N.3C15H25N.C14H23N.3C13H23NS/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;3*1-12-8-10-13(11-9-12)14(15(2,3)4)16(5,6)7;1-13(2,3)12(14(4,5)6)11-8-7-10(9-19-11)15(16,17)18;3*1-11-8-9-12(16-10-11)13(14(2,3)4)15(5,6)7;1-13(2,3)12(14(4,5)6)11-8-7-9-15-10-11;3*1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7/h7-15,19H,1-6H3;8-12,17H,1-7H3;7-10,13H,1-6H3;7-10,14H,1-6H3;3*8-11,14H,1-7H3;7-9,12H,1-6H3;3*8-10,13H,1-7H3;7-10,12H,1-6H3;3*8,10H,1-7H3
InChIKeyDDGGKMCJEFFYSH-UHFFFAOYSA-N
XLogP75.76
TPSA142.04 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003535.76
LogP ≤ 575.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

2-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,4-dimethylthieno[2,3-c]pyridin-3-yl]-1,3-oxazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2-methyl-1,3-thiazol-5-yl)-2-propan-2-ylthieno[2,3-c]pyridine;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
CID 157772432
tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 157820441
tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158281340
(7R)-5,7-dimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine;(7R)-2,7-dimethyl-4,5,6,7-tetrahydro-1-benzofuran;(4R)-2,4-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole;(7R)-2,7-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;(4R)-4-methyl-4,5,6,7-tetrahydro-1-benzofuran;(7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran;(7R)-7-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;(4R)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene;(7R)-7-methyl-4,5,6,7-tetrahydro-1-benzothiophene;(1R)-1-methyl-1,2,3,4-tetrahydronaphthalene;(5R)-5-methyl-5,6,7,8-tetrahydroquinoline;(8R)-8-methyl-5,6,7,8-tetrahydroquinoline;(7R)-7-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran;(7R)-5,5,7-trimethyl-6,7-dihydro-4H-1-benzofuran
CID 158403716
5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-methyl-1,3-thiazole;6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-2-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-2-methyl-1,3-oxazole;6-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
CID 158679669
2-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1,5-dimethylpyridin-1-ium-4-yl]-1,3-benzothiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1,5-dimethylpyridin-1-ium-4-yl]-1,3-benzoxazole;6-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole
CID 159630054
tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160059048
5-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;6-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole
CID 162208146
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
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
1,3-Benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine
CID 157093905
1,3-benzothiazole;1,3-benzoxazole;ethane;9-methylcarbazole;N-methyl-N-phenylaniline;1,9-phenanthroline;quinoline
CID 157100917

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C(c1ccc(-c2ccccc2)cc1)C(C)(C)C.CC(C)(C)C(c1ccc(C(F)(F)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.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)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.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.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1.
What is the InChIKey of 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?
The InChIKey is DDGGKMCJEFFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28.C19H27N.C16H23F3.C16H23NO.3C16H26.C15H22F3N.3C15H25N.C14H23N.3C13H23NS/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;3*1-12-8-10-13(11-9-12)14(15(2,3)4)16(5,6)7;1-13(2,3)12(14(4,5)6)11-8-7-10(9-19-11)15(16,17)18;3*1-11-8-9-12(16-10-11)13(14(2,3)4)15(5,6)7;1-13(2,3)12(14(4,5)6)11-8-7-9-15-10-11;3*1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7/h7-15,19H,1-6H3;8-12,17H,1-7H3;7-10,13H,1-6H3;7-10,14H,1-6H3;3*8-11,14H,1-7H3;7-9,12H,1-6H3;3*8-10,13H,1-7H3;7-10,12H,1-6H3;3*8,10H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 3535.76 g/mol, XLogP of 75.76, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162303924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).