cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)

C237H351N29O5 — CID 167625227

IUPACcumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)
SMILESCC(C)Cc1ccc[nH]1.CC(C)Cc1ccc[nH]1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccco1.CC(C)Cc1ccco1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccno1.CC(C)Cc1ncc[nH]1.CC(C)Cc1ncc[nH]1.CC(C)Cc1ncccn1.CC(C)Cc1ncco1.CC(C)Cc1ncco1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncc1
InChIInChI=1S/3C10H14.5C9H13N.2C9H12.2C8H12N2.3C8H11N.2C8H13N.2C8H11N.2C8H12O.4C7H12N2.C7H10N2.3C7H11NO/c3*1-9(2)8-10-6-4-3-5-7-10;2*1-8(2)6-9-4-3-5-10-7-9;3*1-8(2)7-9-5-3-4-6-10-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-10-8;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)6-8-4-3-5-9-8;2*1-7(2)8-5-3-4-6-9-8;2*1-7(2)6-8-4-3-5-9-8;2*1-6(2)5-7-8-3-4-9-7;2*1-6(2)5-7-3-4-8-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)5-7-8-3-4-9-7;1-6(2)5-7-3-4-8-9-7/h3*3-7,9H,8H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;3*3-6,8H,7H2,1-2H3;2*3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3*3-7H,1-2H3;2*3-5,7,9H,6H2,1-2H3;2*3-7H,1-2H3;2*3-5,7H,6H2,1-2H3;4*3-4,6H,5H2,1-2H3,(H,8,9);3-6H,1-2H3;3*3-4,6H,5H2,1-2H3
InChIKeyMZVFTHOWUIMWLH-UHFFFAOYSA-N
MW3686.61 g/mol
LogP63.09
Rot. Bonds50

About cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)

cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) (PubChem CID 167625227) has the molecular formula C237H351N29O5 and a molecular weight of 3686.61 g/mol. Its IUPAC name is cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine).

Molecular Properties

Compound Namecumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)
PubChem CID167625227
Molecular FormulaC237H351N29O5
Molecular Weight3686.61 g/mol
Exact Mass3683.81
IUPAC Namecumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)
SMILESCC(C)Cc1ccc[nH]1.CC(C)Cc1ccc[nH]1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccco1.CC(C)Cc1ccco1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccno1.CC(C)Cc1ncc[nH]1.CC(C)Cc1ncc[nH]1.CC(C)Cc1ncccn1.CC(C)Cc1ncco1.CC(C)Cc1ncco1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncc1
InChIInChI=1S/3C10H14.5C9H13N.2C9H12.2C8H12N2.3C8H11N.2C8H13N.2C8H11N.2C8H12O.4C7H12N2.C7H10N2.3C7H11NO/c3*1-9(2)8-10-6-4-3-5-7-10;2*1-8(2)6-9-4-3-5-10-7-9;3*1-8(2)7-9-5-3-4-6-10-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-10-8;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)6-8-4-3-5-9-8;2*1-7(2)8-5-3-4-6-9-8;2*1-7(2)6-8-4-3-5-9-8;2*1-6(2)5-7-8-3-4-9-7;2*1-6(2)5-7-3-4-8-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)5-7-8-3-4-9-7;1-6(2)5-7-3-4-8-9-7/h3*3-7,9H,8H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;3*3-6,8H,7H2,1-2H3;2*3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3*3-7H,1-2H3;2*3-5,7,9H,6H2,1-2H3;2*3-7H,1-2H3;2*3-5,7H,6H2,1-2H3;4*3-4,6H,5H2,1-2H3,(H,8,9);3-6H,1-2H3;3*3-4,6H,5H2,1-2H3
InChIKeyMZVFTHOWUIMWLH-UHFFFAOYSA-N
XLogP63.09
TPSA456.91 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds50
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003686.61
LogP ≤ 563.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145032836
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157062526
CID 157164204
CID 157164204
3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 157956965
4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
CID 158251202
5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide
CID 158429616
2,4-Dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene
CID 159376626
CID 159897275
CID 159897275
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(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-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
12-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[3-methoxy-4-(piperidin-1-ylmethyl)phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-[[4-[4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl]phenyl]methyl]morpholine;4-(1-methylpyrazol-4-yl)-12-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-oxazole
CID 159941433
2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-methoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 160137696
N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1-propan-2-ylpyrazole-4-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 160224548

Frequently Asked Questions

What is the IUPAC name of cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?
The IUPAC name of cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) (CID 167625227) is cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine).
What is the SMILES notation for cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?
The canonical SMILES for cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) is CC(C)Cc1ccc[nH]1.CC(C)Cc1ccc[nH]1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccco1.CC(C)Cc1ccco1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccno1.CC(C)Cc1ncc[nH]1.CC(C)Cc1ncc[nH]1.CC(C)Cc1ncccn1.CC(C)Cc1ncco1.CC(C)Cc1ncco1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncc1.
What is the InChIKey of cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?
The InChIKey is MZVFTHOWUIMWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14.5C9H13N.2C9H12.2C8H12N2.3C8H11N.2C8H13N.2C8H11N.2C8H12O.4C7H12N2.C7H10N2.3C7H11NO/c3*1-9(2)8-10-6-4-3-5-7-10;2*1-8(2)6-9-4-3-5-10-7-9;3*1-8(2)7-9-5-3-4-6-10-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-10-8;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)6-8-4-3-5-9-8;2*1-7(2)8-5-3-4-6-9-8;2*1-7(2)6-8-4-3-5-9-8;2*1-6(2)5-7-8-3-4-9-7;2*1-6(2)5-7-3-4-8-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)5-7-8-3-4-9-7;1-6(2)5-7-3-4-8-9-7/h3*3-7,9H,8H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;3*3-6,8H,7H2,1-2H3;2*3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3*3-7H,1-2H3;2*3-5,7,9H,6H2,1-2H3;2*3-7H,1-2H3;2*3-5,7H,6H2,1-2H3;4*3-4,6H,5H2,1-2H3,(H,8,9);3-6H,1-2H3;3*3-4,6H,5H2,1-2H3.
What are the key properties of cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?
cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) has a molecular weight of 3686.61 g/mol, XLogP of 63.09, 50 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) is sourced from PubChem (CID 167625227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).