1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane

C294H395F4N19OSi — CID 158807419

IUPAC1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane
SMILESCC(C)C1CCCCC1.CC(C)C1CCNCC1.CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc([Si](C)(C)C)cc1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.CC(C)c1ncncn1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)cc(C)c1C.Cc1cc(C)c(C)c(C(C)C)c1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.[C-]#[N+]c1ccc(C(C)C)cc1
InChIInChI=1S/2C21H20.2C13H20.3C12H13N.C12H20Si.C12H18.2C11H16.C10H11F3.C10H11N.C10H14O.3C10H14.C9H11F.C9H18.C8H17N.3C8H11N.4C7H10N2.C6H9N3/c1-16(2)19-13-20(17-9-5-3-6-10-17)15-21(14-19)18-11-7-4-8-12-18;1-16(2)19-13-14-20(17-9-5-3-6-10-17)21(15-19)18-11-7-4-8-12-18;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)13-11(5)9(3)7-10(4)12(13)6;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;2*1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-8-3-7-4-9-6/h2*3-16H,1-2H3;6-10H,1-5H3;7-8H,1-6H3;3*3-9H,1-2H3;6-10H,1-5H3;6-8H,1-5H3;2*5-8H,1-4H3;3-7H,1-2H3;4-8H,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;3-7H,1-2H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3
InChIKeyIUGFIBJTGHBOJN-UHFFFAOYSA-N
MW4315.60 g/mol
LogP85.65
Rot. Bonds34

About 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane

1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane (PubChem CID 158807419) has the molecular formula C294H395F4N19OSi and a molecular weight of 4315.60 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane
PubChem CID158807419
Molecular FormulaC294H395F4N19OSi
Molecular Weight4315.60 g/mol
Exact Mass4312.11
IUPAC Name1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane
SMILESCC(C)C1CCCCC1.CC(C)C1CCNCC1.CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc([Si](C)(C)C)cc1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.CC(C)c1ncncn1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)cc(C)c1C.Cc1cc(C)c(C)c(C(C)C)c1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.[C-]#[N+]c1ccc(C(C)C)cc1
InChIInChI=1S/2C21H20.2C13H20.3C12H13N.C12H20Si.C12H18.2C11H16.C10H11F3.C10H11N.C10H14O.3C10H14.C9H11F.C9H18.C8H17N.3C8H11N.4C7H10N2.C6H9N3/c1-16(2)19-13-20(17-9-5-3-6-10-17)15-21(14-19)18-11-7-4-8-12-18;1-16(2)19-13-14-20(17-9-5-3-6-10-17)21(15-19)18-11-7-4-8-12-18;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)13-11(5)9(3)7-10(4)12(13)6;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;2*1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-8-3-7-4-9-6/h2*3-16H,1-2H3;6-10H,1-5H3;7-8H,1-6H3;3*3-9H,1-2H3;6-10H,1-5H3;6-8H,1-5H3;2*5-8H,1-4H3;3-7H,1-2H3;4-8H,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;3-7H,1-2H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3
InChIKeyIUGFIBJTGHBOJN-UHFFFAOYSA-N
XLogP85.65
TPSA244.75 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004315.60
LogP ≤ 585.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclohexyl-4-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;2-methyl-6-propan-2-ylquinoline;9-phenyl-3-propan-2-ylcarbazole;4-phenyl-2-propan-2-ylquinoline;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 158123490
3,8-Dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium
CID 158471302
6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(3-fluoro-4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(2-methoxyphenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(3-methylphenyl)ethyl]quinazolin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine);6-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
CID 159280770
1-Cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 159452329
6-(4-Ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
CID 161012759
3-(2,5-Dimethylphenyl)-2-methylbenzo[f]quinazolin-2-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-8-(trifluoromethyl)benzo[h]quinazolin-3-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium
CID 161735267
7-ethyl-3-propan-2-ylpyrido[3,4-b]pyrazine;7-methoxy-3-propan-2-ylpyrido[3,4-b]pyrazine;3-(3-methylbutyl)pyrazino[2,3-c]pyridazine;7-methyl-2-(2-methylpropyl)pyrimido[4,5-d]pyrimidine;6-methyl-3-propan-2-ylpyrido[2,3-c]pyridazine;7-methyl-2-propan-2-ylpyrimido[4,5-d]pyrimidine;3-propan-2-ylcinnoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,6-naphthyridine;3-propan-2-ylpyrazino[2,3-c]pyridazine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[3,2-d]pyrimidine;2-propan-2-ylpyrimido[4,5-d]pyrimidine;bis(2-propan-2-ylquinoxaline);6-propan-2-ylquinoxaline;3-propan-2-yl-5,6,7,8-tetrahydro-1,2,4-benzotriazine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline;3-propan-2-yl-6-(trifluoromethyl)quinoline
CID 161827131
2-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,5,6-triphenylpyrimidine;2-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,5,6-triphenylpyrimidine;4-phenyl-2-[4-(4-phenylphenyl)phenyl]phenanthro[9,10-d]pyrimidine
CID 161844417
1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 157169898
N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157194985
3-[10-(4-Methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
CID 157467870
1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 157757969

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane?
The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane (CID 158807419) is 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane is CC(C)C1CCCCC1.CC(C)C1CCNCC1.CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc([Si](C)(C)C)cc1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.CC(C)c1ncncn1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)cc(C)c1C.Cc1cc(C)c(C)c(C(C)C)c1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.[C-]#[N+]c1ccc(C(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane?
The InChIKey is IUGFIBJTGHBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20.2C13H20.3C12H13N.C12H20Si.C12H18.2C11H16.C10H11F3.C10H11N.C10H14O.3C10H14.C9H11F.C9H18.C8H17N.3C8H11N.4C7H10N2.C6H9N3/c1-16(2)19-13-20(17-9-5-3-6-10-17)15-21(14-19)18-11-7-4-8-12-18;1-16(2)19-13-14-20(17-9-5-3-6-10-17)21(15-19)18-11-7-4-8-12-18;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)13-11(5)9(3)7-10(4)12(13)6;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;2*1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-8-3-7-4-9-6/h2*3-16H,1-2H3;6-10H,1-5H3;7-8H,1-6H3;3*3-9H,1-2H3;6-10H,1-5H3;6-8H,1-5H3;2*5-8H,1-4H3;3-7H,1-2H3;4-8H,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;3-7H,1-2H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane?
1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane has a molecular weight of 4315.60 g/mol, XLogP of 85.65, 34 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane is sourced from PubChem (CID 158807419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).