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

C84H128N4OS — CID 162272615

IUPACmethane;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
SMILESC.CC(C)(C)C(c1ccc(-c2ccccc2)cc1)C(C)(C)C.CC(C)(C)C(c1ccc2ocnc2c1)C(C)(C)C.CC(C)(C)C(c1cccnc1)C(C)(C)C.Cc1cccc2nc(C(C(C)(C)C)C(C)(C)C)ccc12.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C21H28.C19H27N.C16H23NO.C14H23N.C13H23NS.CH4/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;1-15(2,3)14(16(4,5)6)11-7-8-13-12(9-11)17-10-18-13;1-13(2,3)12(14(4,5)6)11-8-7-9-15-10-11;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;7-10,14H,1-6H3;7-10,12H,1-6H3;8,10H,1-7H3;1H4
InChIKeyKRACOIVLLWIUCS-UHFFFAOYSA-N
MW1242.04 g/mol
LogP26.77
Rot. Bonds6

About 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

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 (PubChem CID 162272615) has the molecular formula C84H128N4OS and a molecular weight of 1242.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID162272615
Molecular FormulaC84H128N4OS
Molecular Weight1242.04 g/mol
Exact Mass1240.98
IUPAC Namemethane;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
SMILESC.CC(C)(C)C(c1ccc(-c2ccccc2)cc1)C(C)(C)C.CC(C)(C)C(c1ccc2ocnc2c1)C(C)(C)C.CC(C)(C)C(c1cccnc1)C(C)(C)C.Cc1cccc2nc(C(C(C)(C)C)C(C)(C)C)ccc12.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C21H28.C19H27N.C16H23NO.C14H23N.C13H23NS.CH4/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;1-15(2,3)14(16(4,5)6)11-7-8-13-12(9-11)17-10-18-13;1-13(2,3)12(14(4,5)6)11-8-7-9-15-10-11;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;7-10,14H,1-6H3;7-10,12H,1-6H3;8,10H,1-7H3;1H4
InChIKeyKRACOIVLLWIUCS-UHFFFAOYSA-N
XLogP26.77
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001242.04
LogP ≤ 526.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156665291
5-[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;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156665350
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
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
1-[[2-[1-[[2-(2-Methylphenyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(trifluoromethyl)pyridin-1-ium-1-yl]methyl]-[1,3]thiazolo[2,3-b][1,3]benzoxazol-9-ium
CID 169922428
5-[7-(4-Tert-butylnaphthalen-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole
CID 156665292
5-[7-(4-Tert-butylnaphthalen-2-yl)thieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole
CID 156665351
6-[7-(4-Tert-butylnaphthalen-2-yl)thieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole
CID 156665402
2-[3-(1,3-Benzothiazol-2-yl)-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole
CID 58479991
2-[10-[3-(1,3-Benzothiazol-2-yl)-5-(1,10-phenanthrolin-5-yl)phenyl]anthracen-9-yl]-1,3-benzoxazole
CID 58480105

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(C)(C)C(c1ccc(-c2ccccc2)cc1)C(C)(C)C.CC(C)(C)C(c1ccc2ocnc2c1)C(C)(C)C.CC(C)(C)C(c1cccnc1)C(C)(C)C.Cc1cccc2nc(C(C(C)(C)C)C(C)(C)C)ccc12.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1.
What is the InChIKey of 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?
The InChIKey is KRACOIVLLWIUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28.C19H27N.C16H23NO.C14H23N.C13H23NS.CH4/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;1-15(2,3)14(16(4,5)6)11-7-8-13-12(9-11)17-10-18-13;1-13(2,3)12(14(4,5)6)11-8-7-9-15-10-11;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;7-10,14H,1-6H3;7-10,12H,1-6H3;8,10H,1-7H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 1242.04 g/mol, XLogP of 26.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162272615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).