1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline

C201H294N8O4S2 — CID 157074897

IUPAC1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)N1CCCc2cc(C(C)(C)C)ccc21.CC(C)c1cc(C(C)(C)C)cs1.CC(C)c1cc2cc(C(C)(C)C)ccc2s1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2c(c1)CCC(C(C)(C)C)C2.CC(C)c1ccc2c(c1)CCC(C(C)(C)C)O2.CC(C)c1ccc2c(c1)CCN2C(C)C.CC(C)c1ccc2c(c1)NCCC2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2cc(C(C)(C)C)ccc2n1.CC(C)c1ccc2oc(C(C)(C)C)cc(=O)c2c1.CC(C)c1nc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C17H26.C16H21N.C16H25N.C16H20O2.C16H24O.C15H23N.C15H20S.C14H19NO.C14H21N.C14H19N.C13H21N.C13H20.C11H17N.C11H18S/c1-12(2)13-6-7-15-11-16(17(3,4)5)9-8-14(15)10-13;1-11(2)14-8-6-12-10-13(16(3,4)5)7-9-15(12)17-14;1-12(2)17-10-6-7-13-11-14(16(3,4)5)8-9-15(13)17;1-10(2)11-6-7-14-12(8-11)13(17)9-15(18-14)16(3,4)5;1-11(2)12-6-8-14-13(10-12)7-9-15(17-14)16(3,4)5;1-10(2)12-5-6-14-13(11(3)4)7-8-16-15(14)9-12;1-10(2)14-9-11-8-12(15(3,4)5)6-7-13(11)16-14;1-9(2)13-15-11-8-10(14(3,4)5)6-7-12(11)16-13;2*1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)10-6-9(7-12-10)11(3,4)5/h6-7,10,12,16H,8-9,11H2,1-5H3;6-11H,1-5H3;8-9,11-12H,6-7,10H2,1-5H3;6-10H,1-5H3;6,8,10-11,15H,7,9H2,1-5H3;5-6,9-11,13,16H,7-8H2,1-4H3;6-10H,1-5H3;6-9H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-11H,1-4H3;7-9H,1-6H3;6-10H,1-5H3;5-9H,1-4H3;6-8H,1-5H3
InChIKeyACWAZJMBRLUPLS-UHFFFAOYSA-N
MW2950.75 g/mol
LogP59.67
Rot. Bonds17

About 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline

1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 157074897) has the molecular formula C201H294N8O4S2 and a molecular weight of 2950.75 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID157074897
Molecular FormulaC201H294N8O4S2
Molecular Weight2950.75 g/mol
Exact Mass2948.25
IUPAC Name1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)N1CCCc2cc(C(C)(C)C)ccc21.CC(C)c1cc(C(C)(C)C)cs1.CC(C)c1cc2cc(C(C)(C)C)ccc2s1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2c(c1)CCC(C(C)(C)C)C2.CC(C)c1ccc2c(c1)CCC(C(C)(C)C)O2.CC(C)c1ccc2c(c1)CCN2C(C)C.CC(C)c1ccc2c(c1)NCCC2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2cc(C(C)(C)C)ccc2n1.CC(C)c1ccc2oc(C(C)(C)C)cc(=O)c2c1.CC(C)c1nc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C17H26.C16H21N.C16H25N.C16H20O2.C16H24O.C15H23N.C15H20S.C14H19NO.C14H21N.C14H19N.C13H21N.C13H20.C11H17N.C11H18S/c1-12(2)13-6-7-15-11-16(17(3,4)5)9-8-14(15)10-13;1-11(2)14-8-6-12-10-13(16(3,4)5)7-9-15(12)17-14;1-12(2)17-10-6-7-13-11-14(16(3,4)5)8-9-15(13)17;1-10(2)11-6-7-14-12(8-11)13(17)9-15(18-14)16(3,4)5;1-11(2)12-6-8-14-13(10-12)7-9-15(17-14)16(3,4)5;1-10(2)12-5-6-14-13(11(3)4)7-8-16-15(14)9-12;1-10(2)14-9-11-8-12(15(3,4)5)6-7-13(11)16-14;1-9(2)13-15-11-8-10(14(3,4)5)6-7-12(11)16-13;2*1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)10-6-9(7-12-10)11(3,4)5/h6-7,10,12,16H,8-9,11H2,1-5H3;6-11H,1-5H3;8-9,11-12H,6-7,10H2,1-5H3;6-10H,1-5H3;6,8,10-11,15H,7,9H2,1-5H3;5-6,9-11,13,16H,7-8H2,1-4H3;6-10H,1-5H3;6-9H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-11H,1-4H3;7-9H,1-6H3;6-10H,1-5H3;5-9H,1-4H3;6-8H,1-5H3
InChIKeyACWAZJMBRLUPLS-UHFFFAOYSA-N
XLogP59.67
TPSA127.58 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002950.75
LogP ≤ 559.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

5-[(1S)-1-aminoethyl]-N-(1-benzofuran-3-ylmethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-N-(1-benzothiophen-3-ylmethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(3-methylpyrazin-2-yl)methyl]-1,3-oxazole-4-carboxamide;5-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 158579996
3-ethyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;5-(2-methylpropyl)-1-benzothiophene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
CID 159177362
3-ethyl-5,6-dimethyl-2-[3-methyl-5-(1,6,7-trimethylquinolin-1-ium-4-yl)penta-2,4-dienylidene]-3a,7a-dihydro-1,3-benzothiazole;1-ethyl-2-[(1E,3E)-5-(1-methyl-4H-quinolin-4-yl)penta-1,3-dienyl]benzo[e][1,3]benzoxazol-1-ium;3-(2-phenoxyethyl)-2-[5-[1-(2-phenoxyethyl)quinolin-1-ium-4-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazole
CID 91549155
Hexalithium;7-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate;5-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
CID 157207226
Diberyllium;ZINC;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;ZINC
CID 157277191
20-dibenzofuran-2-yl-18-methyl-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;20-dibenzothiophen-1-yl-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-10,20-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(15-methyl-10-phenyl-10,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)-N,N-diphenylaniline
CID 157442848
15-dibenzothiophen-4-yl-18-methyl-10-thia-20-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-(4-methoxyphenyl)-19-methyl-10-thia-20-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;18-methyl-15-(9-phenylcarbazol-3-yl)-10-thia-20-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-[4-(N-phenylanilino)phenyl]-10-thia-20-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-17-carbonitrile;12-(9-phenylcarbazol-4-yl)-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157511432
tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-5-thiophen-2-yl-1,3-benzoxazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole;2-[9-[2-thiophen-2-yl-5-(5-thiophen-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
CID 157522876
1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;2,4-di(propan-2-yl)thiophene
CID 157570151
3-butyl-2-[3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;3-butyl-2-[3-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]-1,1-dimethylbenzo[e]indole;3-butyl-2-[3-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]benzo[g][1,3]benzothiazol-3-ium;1-butyl-2-[3-(1-butyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;3-butyl-2-[3-(1-butyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-1,1-dimethylbenzo[e]indol-3-ium;carbanide;1-ethyl-4-[(1-ethyl-2,3-dihydroquinolin-4-ylidene)methyl]quinolin-1-ium;(2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;3-methyl-2-[3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole
CID 157656276
2-[3-(4-Dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;3-[3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]quinoline;3-(3-dibenzofuran-4-ylpyren-1-yl)quinoline;2-[3-(4-dibenzothiophen-4-ylphenyl)pyren-1-yl]pyridine;9-[3-(3-quinolin-3-ylpyren-1-yl)phenyl]carbazole;9-[4-(3-quinolin-3-ylpyren-1-yl)phenyl]carbazole;9-[4-(3-quinolin-6-ylpyren-1-yl)phenyl]carbazole
CID 158014798
10,26-Diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2,4,6,8(17),9(14),10,12,15,18,20,22,25(30),26,28,31-hexadecaene;4,20-di(carbazol-9-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;bis(4,20-di(dibenzofuran-2-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene);4,20-di(dibenzofuran-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene;4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene
CID 158068936

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline (CID 157074897) is 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)N1CCCc2cc(C(C)(C)C)ccc21.CC(C)c1cc(C(C)(C)C)cs1.CC(C)c1cc2cc(C(C)(C)C)ccc2s1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2c(c1)CCC(C(C)(C)C)C2.CC(C)c1ccc2c(c1)CCC(C(C)(C)C)O2.CC(C)c1ccc2c(c1)CCN2C(C)C.CC(C)c1ccc2c(c1)NCCC2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2cc(C(C)(C)C)ccc2n1.CC(C)c1ccc2oc(C(C)(C)C)cc(=O)c2c1.CC(C)c1nc2cc(C(C)(C)C)ccc2o1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ACWAZJMBRLUPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26.C16H21N.C16H25N.C16H20O2.C16H24O.C15H23N.C15H20S.C14H19NO.C14H21N.C14H19N.C13H21N.C13H20.C11H17N.C11H18S/c1-12(2)13-6-7-15-11-16(17(3,4)5)9-8-14(15)10-13;1-11(2)14-8-6-12-10-13(16(3,4)5)7-9-15(12)17-14;1-12(2)17-10-6-7-13-11-14(16(3,4)5)8-9-15(13)17;1-10(2)11-6-7-14-12(8-11)13(17)9-15(18-14)16(3,4)5;1-11(2)12-6-8-14-13(10-12)7-9-15(17-14)16(3,4)5;1-10(2)12-5-6-14-13(11(3)4)7-8-16-15(14)9-12;1-10(2)14-9-11-8-12(15(3,4)5)6-7-13(11)16-14;1-9(2)13-15-11-8-10(14(3,4)5)6-7-12(11)16-13;2*1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)10-6-9(7-12-10)11(3,4)5/h6-7,10,12,16H,8-9,11H2,1-5H3;6-11H,1-5H3;8-9,11-12H,6-7,10H2,1-5H3;6-10H,1-5H3;6,8,10-11,15H,7,9H2,1-5H3;5-6,9-11,13,16H,7-8H2,1-4H3;6-10H,1-5H3;6-9H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-11H,1-4H3;7-9H,1-6H3;6-10H,1-5H3;5-9H,1-4H3;6-8H,1-5H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline?
1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 2950.75 g/mol, XLogP of 59.67, 17 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 157074897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).