1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole

C159H173N17O2S — CID 159482312

IUPAC1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole
SMILESCC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1c2ccccc2C=Cc2ccccc21.CC(C)(C)c1cc(-c2ccccn2)nc2c3c(ccc12)OCC3.CC(C)(C)c1cc(-c2nccs2)nc2ccccc12.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1nc(-c2ccccn2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1-c1ccccc1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)n1cnc2ccccc21.CC(C)n1nc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H20N2O.C18H18N2.C18H19N.2C17H17N3.C16H16N2S.C16H18O.C13H19N.C13H15N.C11H14N2/c1-20(2,3)15-12-17(16-6-4-5-10-21-16)22-19-13(15)7-8-18-14(19)9-11-23-18;1-18(2,3)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)20-17;1-18(2,3)19-16-10-6-4-8-14(16)12-13-15-9-5-7-11-17(15)19;1-17(2,3)15-12-8-4-5-9-13(12)19-16(20-15)14-10-6-7-11-18-14;1-13(2)20-18-16(14-9-5-3-6-10-14)17(19-20)15-11-7-4-8-12-15;1-16(2,3)12-10-14(15-17-8-9-19-15)18-13-7-5-4-6-11(12)13;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13/h4-8,10,12H,9,11H2,1-3H3;4-12H,1-3H3;4-13H,1-3H3;4-11H,1-3H3;3-13H,1-2H3;4-10H,1-3H3;4-12H,1-3H3;4-7H,8-10H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3
InChIKeyLXDNURPBEBTLCT-UHFFFAOYSA-N
MW2386.32 g/mol
LogP41.01
Rot. Bonds9

About 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole

1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole (PubChem CID 159482312) has the molecular formula C159H173N17O2S and a molecular weight of 2386.32 g/mol. Its IUPAC name is 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole.

Molecular Properties

Compound Name1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole
PubChem CID159482312
Molecular FormulaC159H173N17O2S
Molecular Weight2386.32 g/mol
Exact Mass2384.37
IUPAC Name1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole
SMILESCC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1c2ccccc2C=Cc2ccccc21.CC(C)(C)c1cc(-c2ccccn2)nc2c3c(ccc12)OCC3.CC(C)(C)c1cc(-c2nccs2)nc2ccccc12.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1nc(-c2ccccn2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1-c1ccccc1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)n1cnc2ccccc21.CC(C)n1nc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H20N2O.C18H18N2.C18H19N.2C17H17N3.C16H16N2S.C16H18O.C13H19N.C13H15N.C11H14N2/c1-20(2,3)15-12-17(16-6-4-5-10-21-16)22-19-13(15)7-8-18-14(19)9-11-23-18;1-18(2,3)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)20-17;1-18(2,3)19-16-10-6-4-8-14(16)12-13-15-9-5-7-11-17(15)19;1-17(2,3)15-12-8-4-5-9-13(12)19-16(20-15)14-10-6-7-11-18-14;1-13(2)20-18-16(14-9-5-3-6-10-14)17(19-20)15-11-7-4-8-12-15;1-16(2,3)12-10-14(15-17-8-9-19-15)18-13-7-5-4-6-11(12)13;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13/h4-8,10,12H,9,11H2,1-3H3;4-12H,1-3H3;4-13H,1-3H3;4-11H,1-3H3;3-13H,1-2H3;4-10H,1-3H3;4-12H,1-3H3;4-7H,8-10H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3
InChIKeyLXDNURPBEBTLCT-UHFFFAOYSA-N
XLogP41.01
TPSA202.37 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002386.32
LogP ≤ 541.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole with MolForge

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Related Compounds

5-(Azepan-1-yl)-2-tert-butyl-1,3-thiazole;tert-butylbenzene;5-tert-butyl-2-cyclopropylpyridine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;bis(1-tert-butyl-4-methoxybenzene);bis(5-tert-butyl-2-methoxypyridine);1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;bis(4-tert-butylpyridine);7-tert-butylquinoline;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
CID 168408843
tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide
CID 157192394
cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
CID 157348141
tetrakis(copper(1+));N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
CID 157384982
N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide
CID 157439336
N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide
CID 157445693
3,7-Bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(1-phenylindazol-2-ium-2-yl)phenyl]benzimidazole;2,4,6-triphenyl-1,3,5-triazine
CID 157522143
23-Oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene
CID 157675366
N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;tetrakis(manganese(2+));4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide
CID 157679840
CID 157791775
CID 157791775
pentakis(copper(1+));N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene;4-pyridin-2-yl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)indolo[2,3-b]quinoline
CID 157884076
9-Tert-butylacridine;9-tert-butylcarbazole;2-tert-butyl-1,3-dihydroisoindole;10-tert-butylphenothiazine;10-tert-butylphenoxazine;1-tert-butyl-4-phenylbenzene;4-tert-butyl-2-phenylquinoline;2-tert-butyl-3-phenylquinoxaline;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;2-tert-butyl-4-pyridin-2-ylquinoline;4-tert-butyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole;ethyl 2-tert-butylbenzoate
CID 158044872

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole?
The IUPAC name of 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole (CID 159482312) is 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole.
What is the SMILES notation for 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole?
The canonical SMILES for 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole is CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1c2ccccc2C=Cc2ccccc21.CC(C)(C)c1cc(-c2ccccn2)nc2c3c(ccc12)OCC3.CC(C)(C)c1cc(-c2nccs2)nc2ccccc12.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1nc(-c2ccccn2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1-c1ccccc1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)n1cnc2ccccc21.CC(C)n1nc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole?
The InChIKey is LXDNURPBEBTLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.C18H18N2.C18H19N.2C17H17N3.C16H16N2S.C16H18O.C13H19N.C13H15N.C11H14N2/c1-20(2,3)15-12-17(16-6-4-5-10-21-16)22-19-13(15)7-8-18-14(19)9-11-23-18;1-18(2,3)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)20-17;1-18(2,3)19-16-10-6-4-8-14(16)12-13-15-9-5-7-11-17(15)19;1-17(2,3)15-12-8-4-5-9-13(12)19-16(20-15)14-10-6-7-11-18-14;1-13(2)20-18-16(14-9-5-3-6-10-14)17(19-20)15-11-7-4-8-12-15;1-16(2,3)12-10-14(15-17-8-9-19-15)18-13-7-5-4-6-11(12)13;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13/h4-8,10,12H,9,11H2,1-3H3;4-12H,1-3H3;4-13H,1-3H3;4-11H,1-3H3;3-13H,1-2H3;4-10H,1-3H3;4-12H,1-3H3;4-7H,8-10H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3.
What are the key properties of 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole?
1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole has a molecular weight of 2386.32 g/mol, XLogP of 41.01, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbenzimidazole;11-tert-butylbenzo[b][1]benzazepine;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-3-phenoxybenzene;2-tert-butyl-3-phenylquinoxaline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinazoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4,5-diphenyl-2-propan-2-yltriazole is sourced from PubChem (CID 159482312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).