1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole

C180H304N32O2S — CID 162147308

IUPAC1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)C1=CN=C(C(C)C)C1.CC(C)C1=CN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/2C12H18.C11H17N.3C10H16N2.2C10H17N.6C9H16N2.C9H15NO.C9H15NS.C8H15N3.C8H14N2O.C7H14N4/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;2*1-7(2)9-5-6-11-10(12-9)8(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4/h2*5-10H,1-4H3;5-9H,1-4H3;3*5-8H,1-4H3;2*6-8H,5H2,1-4H3;5*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);3*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyZKSPXEVRAQOLAR-UHFFFAOYSA-N
MW2980.70 g/mol
LogP53.00
Rot. Bonds38

About 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole

1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole (PubChem CID 162147308) has the molecular formula C180H304N32O2S and a molecular weight of 2980.70 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole
PubChem CID162147308
Molecular FormulaC180H304N32O2S
Molecular Weight2980.70 g/mol
Exact Mass2978.44
IUPAC Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)C1=CN=C(C(C)C)C1.CC(C)C1=CN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/2C12H18.C11H17N.3C10H16N2.2C10H17N.6C9H16N2.C9H15NO.C9H15NS.C8H15N3.C8H14N2O.C7H14N4/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;2*1-7(2)9-5-6-11-10(12-9)8(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4/h2*5-10H,1-4H3;5-9H,1-4H3;3*5-8H,1-4H3;2*6-8H,5H2,1-4H3;5*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);3*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyZKSPXEVRAQOLAR-UHFFFAOYSA-N
XLogP53.00
TPSA384.88 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002980.70
LogP ≤ 553.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 160119087
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 165064415
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157121562
5-methyl-1H-imidazole;4-methylisoquinoline;5-methylisoquinoline;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);4-methylquinoline;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 157174574
1,1-Dideuterioethylbenzene;2-(1,1-dideuterioethyl)-4,6-diphenylpyrimidine;4-(1,1-dideuterioethyl)-2,6-diphenylpyrimidine;2-(1,1-dideuterioethyl)pyrazine;2-(1,1-dideuterioethyl)pyridine;3-(1,1-dideuterioethyl)pyridine;4-(1,1-dideuterioethyl)pyridine;2-(1,1-dideuterioethyl)pyrimidine;4-(1,1-dideuterioethyl)pyrimidine;2-(1,1-dideuterioethyl)-1,3,4-thiadiazole;5-(1,1-dideuterioethyl)-1,2,4-thiadiazole;2-(1,1-dideuterioethyl)-1,3,5-triazine;4-(1,1-dideuterioethyl)-2,5,6-triphenylpyrimidine;4-ethyl-1,3-oxazole;3-ethyl-1,2,4-thiadiazole;4-ethyl-1,3-thiazole
CID 157175113
2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 157175362
cumene;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157180754
5-tert-butyl-2-propan-2-yl-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;5-ethyl-2-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine
CID 157229571
1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-(2-methylpropyl)tetrazole;1-methyl-4-(2-methylpropyl)triazole;2-(2-methylpropyl)-1,3-oxazole;3-(2-methylpropyl)-1,2-oxazole;4-(2-methylpropyl)-1,2-oxazole;4-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,2-oxazole;5-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1,2-thiazole;4-(2-methylpropyl)-1,2-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,2-thiazole;5-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1H-1,2,4-triazole
CID 157283492
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole?
The IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole (CID 162147308) is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole is CC(C)C1=CN=C(C(C)C)C1.CC(C)C1=CN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole?
The InChIKey is ZKSPXEVRAQOLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18.C11H17N.3C10H16N2.2C10H17N.6C9H16N2.C9H15NO.C9H15NS.C8H15N3.C8H14N2O.C7H14N4/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;2*1-7(2)9-5-6-11-10(12-9)8(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4/h2*5-10H,1-4H3;5-9H,1-4H3;3*5-8H,1-4H3;2*6-8H,5H2,1-4H3;5*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);3*5-7H,1-4H3;2*5-6H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole?
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole has a molecular weight of 2980.70 g/mol, XLogP of 53.00, 38 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)imidazole);3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-3H-pyrrole);2,5-di(propan-2-yl)tetrazole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole is sourced from PubChem (CID 162147308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).