tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline

C210H240F2N12O3S2 — CID 157368730

IUPACtert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESC.CC(C)c1ccc(-c2ccc(F)cc2)cc1.CC(C)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc(-c2ccc(F)cc2)c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccnc2ccccc12.Cc1ccc(C(C)C)cn1.Cc1cnc2sc(C(C)C)nc2c1
InChIInChI=1S/C16H21NO2.2C15H15F.2C13H14.2C12H15N.6C12H13N.C11H12O.C11H12S.C10H12N2S.C9H13N.CH4/c1-11(2)12-6-7-14-13(10-12)8-9-17(14)15(18)19-16(3,4)5;1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15(16)9-7-12;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)9-12-8-4-7(3)5-11-10(8)13-9;1-7(2)9-5-4-8(3)10-6-9;/h6-11H,1-5H3;2*3-11H,1-2H3;2*3-10H,1-2H3;2*4-9H,1-3H3;6*3-9H,1-2H3;2*3-8H,1-2H3;4-6H,1-3H3;4-7H,1-3H3;1H4
InChIKeyBJMOZESONWFYOX-UHFFFAOYSA-N
MW3082.44 g/mol
LogP62.31
Rot. Bonds19

About tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline

tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline (PubChem CID 157368730) has the molecular formula C210H240F2N12O3S2 and a molecular weight of 3082.44 g/mol. Its IUPAC name is tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline.

Molecular Properties

Compound Nametert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline
PubChem CID157368730
Molecular FormulaC210H240F2N12O3S2
Molecular Weight3082.44 g/mol
Exact Mass3079.84
IUPAC Nametert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESC.CC(C)c1ccc(-c2ccc(F)cc2)cc1.CC(C)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc(-c2ccc(F)cc2)c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccnc2ccccc12.Cc1ccc(C(C)C)cn1.Cc1cnc2sc(C(C)C)nc2c1
InChIInChI=1S/C16H21NO2.2C15H15F.2C13H14.2C12H15N.6C12H13N.C11H12O.C11H12S.C10H12N2S.C9H13N.CH4/c1-11(2)12-6-7-14-13(10-12)8-9-17(14)15(18)19-16(3,4)5;1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15(16)9-7-12;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)9-12-8-4-7(3)5-11-10(8)13-9;1-7(2)9-5-4-8(3)10-6-9;/h6-11H,1-5H3;2*3-11H,1-2H3;2*3-10H,1-2H3;2*4-9H,1-3H3;6*3-9H,1-2H3;2*3-8H,1-2H3;4-6H,1-3H3;4-7H,1-3H3;1H4
InChIKeyBJMOZESONWFYOX-UHFFFAOYSA-N
XLogP62.31
TPSA170.24 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003082.44
LogP ≤ 562.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline with MolForge

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Related Compounds

1-(4-acetylphenyl)ethanone;1-(1,1-difluoroethyl)-3-(trifluoromethyl)benzene-5-ide;3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;6,9-dimethyl-3H-carbazol-3-ide;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;5-methyl-8H-pyrido[4,3-b]indol-8-ide;tungsten
CID 158941711
1-[2-[3,5-Bis(2-phenyl-1,3-benzothiazol-6-yl)phenyl]cyclopropyl]pyrrole-2,5-dione;2,7-di(carbazol-9-yl)-9,9-dimethyl-10-[2-[4-(6-phenylpyrazin-2-yl)phenyl]cyclopropyl]acridine;2,2-difluoro-1-[3-(2-pyrrolo[3,2-c]pyridin-1-ylcyclopropyl)phenyl]propan-1-one;methane;7-(2-pyrazin-2-ylcyclopropyl)furo[3,2-f]indole;8-(2-pyrrolo[3,2-c]pyridin-1-ylcyclopropyl)pyrido[3,4-b]pyrazine
CID 160379162
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
6-(3-Tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline
CID 161324597
1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;6,9-dimethyl-3H-carbazol-3-ide;3,8-dimethyl-2,9-dihydro-1,10-phenanthroline-2,9-diide;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;methane;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;5-methyl-8H-pyrido[4,3-b]indol-8-ide;tungsten
CID 161578898
5-[6-[3-([1]Benzothiolo[3,2-b]pyridin-6-yl)-5-(10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-12-yl)phenyl]-[1]benzothiolo[3,2-b]pyridin-3-yl]-12-[3-[7-[12-(4-carbazol-9-ylphenyl)-10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaen-6-yl]dibenzofuran-2-yl]-5-dibenzofuran-2-ylphenyl]-10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 147375257
3-Carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole
CID 149427214
9-[3-Dibenzofuran-2-yl-5-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole;5-[3-(4-dibenzofuran-2-yl-2,6-dimethylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-(3-dibenzothiophen-2-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[4,3-b]indole;9-[3-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]carbazole
CID 157060730
12-Dibenzofuran-2-yl-5,16-diphenyl-5,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,6,8,10,12,14,17,19,21,23-undecaene;12-dibenzothiophen-4-yl-5,11,16-triphenyl-5,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1(13),2(10),3,6,8,11,14,17,19,21,23-undecaene;5,22-diphenyl-12-pyridin-3-yl-5,22-diazahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,6,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-5,22-diphenyl-5,22-diazahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,6,8,10,12,14,16,18,20,23-undecaene
CID 157159270
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157233701
CID 157280509
CID 157280509
17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline
CID 157318870

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline?
The IUPAC name of tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline (CID 157368730) is tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline.
What is the SMILES notation for tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline?
The canonical SMILES for tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline is C.CC(C)c1ccc(-c2ccc(F)cc2)cc1.CC(C)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc(-c2ccc(F)cc2)c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccnc2ccccc12.Cc1ccc(C(C)C)cn1.Cc1cnc2sc(C(C)C)nc2c1.
What is the InChIKey of tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline?
The InChIKey is BJMOZESONWFYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.2C15H15F.2C13H14.2C12H15N.6C12H13N.C11H12O.C11H12S.C10H12N2S.C9H13N.CH4/c1-11(2)12-6-7-14-13(10-12)8-9-17(14)15(18)19-16(3,4)5;1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15(16)9-7-12;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)9-12-8-4-7(3)5-11-10(8)13-9;1-7(2)9-5-4-8(3)10-6-9;/h6-11H,1-5H3;2*3-11H,1-2H3;2*3-10H,1-2H3;2*4-9H,1-3H3;6*3-9H,1-2H3;2*3-8H,1-2H3;4-6H,1-3H3;4-7H,1-3H3;1H4.
What are the key properties of tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline?
tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline has a molecular weight of 3082.44 g/mol, XLogP of 62.31, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-propan-2-ylindole-1-carboxylate;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(4-propan-2-ylphenyl)benzene;methane;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline is sourced from PubChem (CID 157368730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).