1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane

C239H378N27O+ — CID 157350478

IUPAC1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane
SMILESC.CC(C)C1CCCN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1Cc2cccnc2N1C(C)C.CC(C)C1c2ccccc2C=[N+]1C(C)C.CC(C)C1c2ccccc2CCN1C(C)C.CC(C)C1c2ccccc2CN1C(C)C.CC(C)c1cc2c(nc1C(C)C)CCCC2.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cc2cnccc2n1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnn1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1ncnn1C(C)C.CC(C)c1ncoc1C(C)C
InChIInChI=1S/4C15H23N.C15H19N.C14H21N.C14H20N.C13H18N2.C13H20N2.C12H18.2C11H17N.2C10H16N2.C10H21N.C10H17N.2C9H16N2.C9H15NO.C8H15N3.CH4/c2*1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-11(2)15-14-8-6-5-7-13(14)9-10-16(15)12(3)4;2*1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;2*1-10(2)14-13-8-6-5-7-12(13)9-15(14)11(3)4;1-9(2)13-7-11-8-14-6-5-12(11)15(13)10(3)4;1-9(2)12-8-11-6-5-7-14-13(11)15(12)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;2*1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-9-5-10-11(8)7(3)4;/h3*5-8,11-12,15H,9-10H2,1-4H3;9-11H,5-8H2,1-4H3;5-11H,1-4H3;5-8,10-11,14H,9H2,1-4H3;5-11,14H,1-4H3;5-10H,1-4H3;5-7,9-10,12H,8H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;2*5-8H,1-4H3;8-10H,5-7H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3;1H4/q;;;;;;+1;;;;;;;;;;;;;;
InChIKeyYRIWXAZVCACHST-UHFFFAOYSA-N
MW3645.84 g/mol
LogP65.22
Rot. Bonds40

About 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane

1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane (PubChem CID 157350478) has the molecular formula C239H378N27O+ and a molecular weight of 3645.84 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane.

Molecular Properties

Compound Name1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane
PubChem CID157350478
Molecular FormulaC239H378N27O+
Molecular Weight3645.84 g/mol
Exact Mass3643.04
IUPAC Name1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane
SMILESC.CC(C)C1CCCN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1Cc2cccnc2N1C(C)C.CC(C)C1c2ccccc2C=[N+]1C(C)C.CC(C)C1c2ccccc2CCN1C(C)C.CC(C)C1c2ccccc2CN1C(C)C.CC(C)c1cc2c(nc1C(C)C)CCCC2.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cc2cnccc2n1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnn1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1ncnn1C(C)C.CC(C)c1ncoc1C(C)C
InChIInChI=1S/4C15H23N.C15H19N.C14H21N.C14H20N.C13H18N2.C13H20N2.C12H18.2C11H17N.2C10H16N2.C10H21N.C10H17N.2C9H16N2.C9H15NO.C8H15N3.CH4/c2*1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-11(2)15-14-8-6-5-7-13(14)9-10-16(15)12(3)4;2*1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;2*1-10(2)14-13-8-6-5-7-12(13)9-15(14)11(3)4;1-9(2)13-7-11-8-14-6-5-12(11)15(13)10(3)4;1-9(2)12-8-11-6-5-7-14-13(11)15(12)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;2*1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-9-5-10-11(8)7(3)4;/h3*5-8,11-12,15H,9-10H2,1-4H3;9-11H,5-8H2,1-4H3;5-11H,1-4H3;5-8,10-11,14H,9H2,1-4H3;5-11,14H,1-4H3;5-10H,1-4H3;5-7,9-10,12H,8H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;2*5-8H,1-4H3;8-10H,5-7H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3;1H4/q;;;;;;+1;;;;;;;;;;;;;;
InChIKeyYRIWXAZVCACHST-UHFFFAOYSA-N
XLogP65.22
TPSA253.59 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds40
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003645.84
LogP ≤ 565.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane with MolForge

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Related Compounds

4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole
CID 158911509
1-benzyl-2-(2-methylpropyl)imidazole;3-cyclopentyl-1-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline;1-ethyl-3-(2-methylpropyl)pyrazole;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-2H-imidazole;1-methyl-4-(2-methylpropyl)pyrazole
CID 161973202
7-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[7-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 157257331
3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,6-di(propan-2-yl)-7H-cyclopenta[d]pyrimidine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;2,8-di(propan-2-yl)-7H-purine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine
CID 157409423
2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-5-methylpyrimidine;2-(2,2-dimethylpropyl)quinoline;methane
CID 157618882
5-carbazol-9-yl-2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;5-carbazol-9-yl-4-methyl-2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;tris(2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);methane;tris(2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);bis(9-(4-methylphenyl)carbazole);tris(9-methylpyrido[2,3-b]indole);tris(9-methylpyrido[3,4-b]indole);platinum;pentakis(platinum(2+))
CID 157714369
1,3-benzoxazole;imidazo[1,5-a]pyridine;1H-indazole;isoquinoline;heptadecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;3-propan-2-ylisoquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 157961928
2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;hexakis(palladium(2+))
CID 158343218
1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine
CID 158425941
6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline
CID 158674317
3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine
CID 158778026
2-[2-(benzimidazol-1-yl)-5-[5-[4-(benzimidazol-1-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-indol-1-yl-5-[5-[4-indol-1-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;4-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(1,3-oxazol-4-yl)benzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]-1,3-oxazole;9-(4-methyl-2-pyridinyl)-2-[5-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-(triazol-1-yl)benzene-2-id-1-yl]pyrazin-2-yl]-2-(triazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;octakis(platinum(2+))
CID 158826959

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane?
The IUPAC name of 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane (CID 157350478) is 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane.
What is the SMILES notation for 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane?
The canonical SMILES for 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane is C.CC(C)C1CCCN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1Cc2cccnc2N1C(C)C.CC(C)C1c2ccccc2C=[N+]1C(C)C.CC(C)C1c2ccccc2CCN1C(C)C.CC(C)C1c2ccccc2CN1C(C)C.CC(C)c1cc2c(nc1C(C)C)CCCC2.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cc2cnccc2n1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnn1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1ncnn1C(C)C.CC(C)c1ncoc1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane?
The InChIKey is YRIWXAZVCACHST-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H23N.C15H19N.C14H21N.C14H20N.C13H18N2.C13H20N2.C12H18.2C11H17N.2C10H16N2.C10H21N.C10H17N.2C9H16N2.C9H15NO.C8H15N3.CH4/c2*1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-11(2)15-14-8-6-5-7-13(14)9-10-16(15)12(3)4;2*1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;2*1-10(2)14-13-8-6-5-7-12(13)9-15(14)11(3)4;1-9(2)13-7-11-8-14-6-5-12(11)15(13)10(3)4;1-9(2)12-8-11-6-5-7-14-13(11)15(12)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;2*1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-9-5-10-11(8)7(3)4;/h3*5-8,11-12,15H,9-10H2,1-4H3;9-11H,5-8H2,1-4H3;5-11H,1-4H3;5-8,10-11,14H,9H2,1-4H3;5-11,14H,1-4H3;5-10H,1-4H3;5-7,9-10,12H,8H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;2*5-8H,1-4H3;8-10H,5-7H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3;1H4/q;;;;;;+1;;;;;;;;;;;;;;.
What are the key properties of 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane?
1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane has a molecular weight of 3645.84 g/mol, XLogP of 65.22, 40 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane is sourced from PubChem (CID 157350478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).