bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane

C212H318N22O5 — CID 157355895

IUPACbis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
SMILESC.C.C.C.C.C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1ccc2cnn(C3CCCCC3)c2c1.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2ccc(N3CCCCC3)nc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2ncc(=O)[nH]c12.CC(C)(C)c1cccc2nccnc12.CN1C(=O)COc2cccc(C(C)(C)C)c21.CN1CCC(n2ncc3ccc(C(C)(C)C)cc32)CC1.CN1CCOc2cccc(C(C)(C)C)c21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21
InChIInChI=1S/C18H24N2.C17H25N3.C17H24N2.C14H16.C13H17NO2.C13H19NO.C13H19N.C12H14N2O.4C12H16N2.C12H14N2.2C10H20.C9H18O.6CH4/c1-18(2,3)15-9-7-8-14-10-11-16(19-17(14)15)20-12-5-4-6-13-20;1-17(2,3)14-6-5-13-12-18-20(16(13)11-14)15-7-9-19(4)10-8-15;1-17(2,3)14-10-9-13-12-18-19(16(13)11-14)15-7-5-4-6-8-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)9-6-5-7-10-12(9)14(4)11(15)8-16-10;1-13(2,3)10-6-5-7-11-12(10)14(4)8-9-15-11;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)8-5-4-6-9-11(8)14-10(15)7-13-9;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;;;;;;/h7-11H,4-6,12-13H2,1-3H3;5-6,11-12,15H,7-10H2,1-4H3;9-12,15H,4-8H2,1-3H3;4-10H,1-3H3;5-7H,8H2,1-4H3;5-7H,8-9H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;4-7H,1-3H3,(H,14,15);4*5-8H,1-4H3;4-8H,1-3H3;2*9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;6*1H4
InChIKeyBIBQKDCOWBGOGD-UHFFFAOYSA-N
MW3255.02 g/mol
LogP55.73
Rot. Bonds3

About bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane

bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane (PubChem CID 157355895) has the molecular formula C212H318N22O5 and a molecular weight of 3255.02 g/mol. Its IUPAC name is bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane.

Molecular Properties

Compound Namebis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
PubChem CID157355895
Molecular FormulaC212H318N22O5
Molecular Weight3255.02 g/mol
Exact Mass3252.53
IUPAC Namebis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
SMILESC.C.C.C.C.C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1ccc2cnn(C3CCCCC3)c2c1.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2ccc(N3CCCCC3)nc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2ncc(=O)[nH]c12.CC(C)(C)c1cccc2nccnc12.CN1C(=O)COc2cccc(C(C)(C)C)c21.CN1CCC(n2ncc3ccc(C(C)(C)C)cc32)CC1.CN1CCOc2cccc(C(C)(C)C)c21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21
InChIInChI=1S/C18H24N2.C17H25N3.C17H24N2.C14H16.C13H17NO2.C13H19NO.C13H19N.C12H14N2O.4C12H16N2.C12H14N2.2C10H20.C9H18O.6CH4/c1-18(2,3)15-9-7-8-14-10-11-16(19-17(14)15)20-12-5-4-6-13-20;1-17(2,3)14-6-5-13-12-18-20(16(13)11-14)15-7-9-19(4)10-8-15;1-17(2,3)14-10-9-13-12-18-19(16(13)11-14)15-7-5-4-6-8-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)9-6-5-7-10-12(9)14(4)11(15)8-16-10;1-13(2,3)10-6-5-7-11-12(10)14(4)8-9-15-11;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)8-5-4-6-9-11(8)14-10(15)7-13-9;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;;;;;;/h7-11H,4-6,12-13H2,1-3H3;5-6,11-12,15H,7-10H2,1-4H3;9-12,15H,4-8H2,1-3H3;4-10H,1-3H3;5-7H,8H2,1-4H3;5-7H,8-9H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;4-7H,1-3H3,(H,14,15);4*5-8H,1-4H3;4-8H,1-3H3;2*9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;6*1H4
InChIKeyBIBQKDCOWBGOGD-UHFFFAOYSA-N
XLogP55.73
TPSA261.09 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds3
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003255.02
LogP ≤ 555.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane with MolForge

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Launch Full Analysis

Related Compounds

US20240150366, Example 8
CID 171918776
2-[(2S)-4-[2-[[(2S)-4-[7-[4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-4-[3-[4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,5-dimethylphenyl]-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-methylindol-5-yl]-1-methylpyrrolidin-2-yl]methoxy]-7-(2,3-dihydro-1-benzofuran-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 146478400
2-[(2S)-4-[2-[[(2S)-4-[7-[4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-4-[3-[4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,5-dimethylphenyl]-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-methylindol-5-yl]-1-methylpyrrolidin-2-yl]methoxy]-7-(2,3-dihydro-1-benzofuran-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(1-hydroxyprop-2-enyl)piperazin-2-yl]acetonitrile
CID 154926905
2-[3-[6-[4-[2-[3-[6-[2-[[2-[3-[5-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]amino]propyl]-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]morpholin-2-yl]-4-[4-(1H-pyrazol-4-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227879
1-Tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
CID 157198497
3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-[3-cyclopropyl-1-[7-(1-methylpyrrol-3-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methyl 1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 158056799
1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158612452
1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-[3-(3-methylbenzimidazol-5-yl)phenyl]acetamide;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxetan-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol
CID 159793119
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-[3-(3-tert-butylphenoxy)propyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 159916769
1-Tert-butyl-9-(1-propan-2-ylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium
CID 160392574
1-Tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium
CID 160713707
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]prop-2-enamide;N-[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-pyridinyl]prop-2-enamide
CID 160886609

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane?
The IUPAC name of bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane (CID 157355895) is bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane.
What is the SMILES notation for bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane?
The canonical SMILES for bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane is C.C.C.C.C.C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1ccc2cnn(C3CCCCC3)c2c1.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2ccc(N3CCCCC3)nc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2ncc(=O)[nH]c12.CC(C)(C)c1cccc2nccnc12.CN1C(=O)COc2cccc(C(C)(C)C)c21.CN1CCC(n2ncc3ccc(C(C)(C)C)cc32)CC1.CN1CCOc2cccc(C(C)(C)C)c21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21.
What is the InChIKey of bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane?
The InChIKey is BIBQKDCOWBGOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2.C17H25N3.C17H24N2.C14H16.C13H17NO2.C13H19NO.C13H19N.C12H14N2O.4C12H16N2.C12H14N2.2C10H20.C9H18O.6CH4/c1-18(2,3)15-9-7-8-14-10-11-16(19-17(14)15)20-12-5-4-6-13-20;1-17(2,3)14-6-5-13-12-18-20(16(13)11-14)15-7-9-19(4)10-8-15;1-17(2,3)14-10-9-13-12-18-19(16(13)11-14)15-7-5-4-6-8-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)9-6-5-7-10-12(9)14(4)11(15)8-16-10;1-13(2,3)10-6-5-7-11-12(10)14(4)8-9-15-11;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)8-5-4-6-9-11(8)14-10(15)7-13-9;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;;;;;;/h7-11H,4-6,12-13H2,1-3H3;5-6,11-12,15H,7-10H2,1-4H3;9-12,15H,4-8H2,1-3H3;4-10H,1-3H3;5-7H,8H2,1-4H3;5-7H,8-9H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;4-7H,1-3H3,(H,14,15);4*5-8H,1-4H3;4-8H,1-3H3;2*9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;6*1H4.
What are the key properties of bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane?
bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane has a molecular weight of 3255.02 g/mol, XLogP of 55.73, 3 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane is sourced from PubChem (CID 157355895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).