8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole

C216H265N21O4 — CID 165068817

IUPAC8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole
SMILESC=Cc1cncc2c(C(C)(C)C)cccc12.CC(C)(C)c1ccc(CO)c2ccncc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c(CO)cncc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)n1cc(C(C)(C)C)c2ccccc21.CCc1ccc(C(C)(C)C)c2cnccc12.COc1ccc(C(C)(C)C)c2cnccc12.COc1cncc2c(C(C)(C)C)cccc12.Cc1[nH]c2cc(-c3cnn(C)c3)ccc2c1C(C)(C)C.Cc1[nH]c2ccccc2c1C(C)(C)C.Cc1cc(C(C)(C)C)c2cnc(-c3cnn(C)c3)cc2c1.Cc1ccc(C(C)(C)C)c2cnccc12.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1
InChIInChI=1S/C18H21N3.C17H21N3.C17H19N3.C15H21N.C15H19N.C15H17N.4C14H17NO.C14H17N.C13H17N.C13H16.C12H15N.C11H14N2/c1-12-6-13-8-17(14-9-20-21(5)11-14)19-10-15(13)16(7-12)18(2,3)4;1-11-16(17(2,3)4)14-7-6-12(8-15(14)19-11)13-9-18-20(5)10-13;1-17(2,3)15-7-5-6-12-8-16(18-10-14(12)15)13-9-19-20(4)11-13;1-11(2)16-10-13(15(3,4)5)12-8-6-7-9-14(12)16;1-5-11-6-7-14(15(2,3)4)13-10-16-9-8-12(11)13;1-5-11-9-16-10-13-12(11)7-6-8-14(13)15(2,3)4;1-14(2,3)12-5-6-13(16-4)10-7-8-15-9-11(10)12;1-14(2,3)12-7-5-6-10-11(12)8-15-9-13(10)16-4;1-14(2,3)13-5-4-10(9-16)11-6-7-15-8-12(11)13;1-14(2,3)13-6-4-5-11-10(9-16)7-15-8-12(11)13;1-10-5-6-13(14(2,3)4)12-9-15-8-7-11(10)12;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h6-11H,1-5H3;6-10,19H,1-5H3;5-11H,1-4H3;6-11H,1-5H3;6-10H,5H2,1-4H3;5-10H,1H2,2-4H3;2*5-9H,1-4H3;2*4-8,16H,9H2,1-3H3;5-9H,1-4H3;5-8,14H,1-4H3;4-7,9H,8H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeySKJALADEDLIIEQ-UHFFFAOYSA-N
MW3219.64 g/mol
LogP55.76
Rot. Bonds10

About 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole

8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole (PubChem CID 165068817) has the molecular formula C216H265N21O4 and a molecular weight of 3219.64 g/mol. Its IUPAC name is 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole.

Molecular Properties

Compound Name8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole
PubChem CID165068817
Molecular FormulaC216H265N21O4
Molecular Weight3219.64 g/mol
Exact Mass3217.12
IUPAC Name8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole
SMILESC=Cc1cncc2c(C(C)(C)C)cccc12.CC(C)(C)c1ccc(CO)c2ccncc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c(CO)cncc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)n1cc(C(C)(C)C)c2ccccc21.CCc1ccc(C(C)(C)C)c2cnccc12.COc1ccc(C(C)(C)C)c2cnccc12.COc1cncc2c(C(C)(C)C)cccc12.Cc1[nH]c2cc(-c3cnn(C)c3)ccc2c1C(C)(C)C.Cc1[nH]c2ccccc2c1C(C)(C)C.Cc1cc(C(C)(C)C)c2cnc(-c3cnn(C)c3)cc2c1.Cc1ccc(C(C)(C)C)c2cnccc12.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1
InChIInChI=1S/C18H21N3.C17H21N3.C17H19N3.C15H21N.C15H19N.C15H17N.4C14H17NO.C14H17N.C13H17N.C13H16.C12H15N.C11H14N2/c1-12-6-13-8-17(14-9-20-21(5)11-14)19-10-15(13)16(7-12)18(2,3)4;1-11-16(17(2,3)4)14-7-6-12(8-15(14)19-11)13-9-18-20(5)10-13;1-17(2,3)15-7-5-6-12-8-16(18-10-14(12)15)13-9-19-20(4)11-13;1-11(2)16-10-13(15(3,4)5)12-8-6-7-9-14(12)16;1-5-11-6-7-14(15(2,3)4)13-10-16-9-8-12(11)13;1-5-11-9-16-10-13-12(11)7-6-8-14(13)15(2,3)4;1-14(2,3)12-5-6-13(16-4)10-7-8-15-9-11(10)12;1-14(2,3)12-7-5-6-10-11(12)8-15-9-13(10)16-4;1-14(2,3)13-5-4-10(9-16)11-6-7-15-8-12(11)13;1-14(2,3)13-6-4-5-11-10(9-16)7-15-8-12(11)13;1-10-5-6-13(14(2,3)4)12-9-15-8-7-11(10)12;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h6-11H,1-5H3;6-10,19H,1-5H3;5-11H,1-4H3;6-11H,1-5H3;6-10H,5H2,1-4H3;5-10H,1H2,2-4H3;2*5-9H,1-4H3;2*4-8,16H,9H2,1-3H3;5-9H,1-4H3;5-8,14H,1-4H3;4-7,9H,8H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeySKJALADEDLIIEQ-UHFFFAOYSA-N
XLogP55.76
TPSA309.37 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003219.64
LogP ≤ 555.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole with MolForge

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Launch Full Analysis

Related Compounds

4-(3-methoxypropyl)-2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazine;1-(3-methoxypropyl)-3-methyl-6-propan-2-ylindazole;1-(3-methoxypropyl)-3-methyl-6-propan-2-ylindole;3-(3-methoxypropyl)-1-methyl-5-propan-2-ylindole;4-(3-methoxypropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-(3-methoxypropyl)-6-propan-2-ylindazole;1-(3-methoxypropyl)-6-propan-2-ylindole;3-(3-methoxypropyl)-5-propan-2-yl-1H-indole;1-(3-methoxypropyl)-6-propan-2-yl-3-(trifluoromethyl)indole
CID 157572970
2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;8-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 158175997
5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;8-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;2-(6-methoxy-1H-indol-3-yl)-4-methylquinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 159141055
5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 159566042
5-(1H-indol-4-yl)-1,4,6,7-tetrahydroindazole-5-carbonitrile;5-(7-methoxy-1H-indol-4-yl)-1,4,6,7-tetrahydroindazole-5-carbonitrile;5-(1-methylindol-4-yl)-1,4,6,7-tetrahydroindazole-5-carbonitrile
CID 87639056
4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine;5-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]phenol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-quinolin-4-ylbenzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine;propane
CID 157118007
5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine
CID 157313320
2-[4-(2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-5-yl]pyridine;methane;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine
CID 157482155
hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium
CID 157485358
CID 157853018
CID 157853018
5-[1-[1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[(3R)-1-[(4-methoxy-2-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 157862990
N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride
CID 158185798

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole?
The IUPAC name of 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole (CID 165068817) is 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole.
What is the SMILES notation for 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole?
The canonical SMILES for 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole is C=Cc1cncc2c(C(C)(C)C)cccc12.CC(C)(C)c1ccc(CO)c2ccncc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c(CO)cncc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)n1cc(C(C)(C)C)c2ccccc21.CCc1ccc(C(C)(C)C)c2cnccc12.COc1ccc(C(C)(C)C)c2cnccc12.COc1cncc2c(C(C)(C)C)cccc12.Cc1[nH]c2cc(-c3cnn(C)c3)ccc2c1C(C)(C)C.Cc1[nH]c2ccccc2c1C(C)(C)C.Cc1cc(C(C)(C)C)c2cnc(-c3cnn(C)c3)cc2c1.Cc1ccc(C(C)(C)C)c2cnccc12.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.
What is the InChIKey of 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole?
The InChIKey is SKJALADEDLIIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3.C17H21N3.C17H19N3.C15H21N.C15H19N.C15H17N.4C14H17NO.C14H17N.C13H17N.C13H16.C12H15N.C11H14N2/c1-12-6-13-8-17(14-9-20-21(5)11-14)19-10-15(13)16(7-12)18(2,3)4;1-11-16(17(2,3)4)14-7-6-12(8-15(14)19-11)13-9-18-20(5)10-13;1-17(2,3)15-7-5-6-12-8-16(18-10-14(12)15)13-9-19-20(4)11-13;1-11(2)16-10-13(15(3,4)5)12-8-6-7-9-14(12)16;1-5-11-6-7-14(15(2,3)4)13-10-16-9-8-12(11)13;1-5-11-9-16-10-13-12(11)7-6-8-14(13)15(2,3)4;1-14(2,3)12-5-6-13(16-4)10-7-8-15-9-11(10)12;1-14(2,3)12-7-5-6-10-11(12)8-15-9-13(10)16-4;1-14(2,3)13-5-4-10(9-16)11-6-7-15-8-12(11)13;1-14(2,3)13-6-4-5-11-10(9-16)7-15-8-12(11)13;1-10-5-6-13(14(2,3)4)12-9-15-8-7-11(10)12;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h6-11H,1-5H3;6-10,19H,1-5H3;5-11H,1-4H3;6-11H,1-5H3;6-10H,5H2,1-4H3;5-10H,1H2,2-4H3;2*5-9H,1-4H3;2*4-8,16H,9H2,1-3H3;5-9H,1-4H3;5-8,14H,1-4H3;4-7,9H,8H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13).
What are the key properties of 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole?
8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole has a molecular weight of 3219.64 g/mol, XLogP of 55.76, 10 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole is sourced from PubChem (CID 165068817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).