cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)

C204H242N20O2S3 — CID 159319237

IUPACcumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)
SMILESCC(C)C.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccccc1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccc2c1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC1=C(c2ccccc2)CC(C(C)C)=N1.Cc1ccn(-c2ccccc2)c1.Cc1nc(C(C)C)oc1-c1ccccc1.Cc1nc(C(C)C)sc1-c1ccccc1.Cc1nc(C(C)C)sc1C.c1ccncc1.c1ccncc1
InChIInChI=1S/C14H17N.C13H15NO.C13H15NS.C13H14.3C12H13N.C11H14N2.2C11H13N.C11H11N.2C10H12N2.C10H11NO.C10H11NS.C9H12.C8H13NS.2C5H5N.C4H10/c1-10(2)14-9-13(11(3)15-14)12-7-5-4-6-8-12;2*1-9(2)13-14-10(3)12(15-13)11-7-5-4-6-8-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-6-4-3-5-7-9;1-5(2)8-9-6(3)7(4)10-8;2*1-2-4-6-5-3-1;1-4(2)3/h4-8,10H,9H2,1-3H3;2*4-9H,1-3H3;3-10H,1-2H3;3*3-9H,1-2H3;4-8H,1-3H3;2*3-8,12H,1-2H3;2-9H,1H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-8H,1-2H3;5H,1-4H3;2*1-5H;4H,1-3H3
InChIKeyLDNREGFPWRUCBL-UHFFFAOYSA-N
MW3102.52 g/mol
LogP59.07
Rot. Bonds20

About cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)

cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine) (PubChem CID 159319237) has the molecular formula C204H242N20O2S3 and a molecular weight of 3102.52 g/mol. Its IUPAC name is cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine).

Molecular Properties

Compound Namecumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)
PubChem CID159319237
Molecular FormulaC204H242N20O2S3
Molecular Weight3102.52 g/mol
Exact Mass3099.86
IUPAC Namecumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)
SMILESCC(C)C.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccccc1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccc2c1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC1=C(c2ccccc2)CC(C(C)C)=N1.Cc1ccn(-c2ccccc2)c1.Cc1nc(C(C)C)oc1-c1ccccc1.Cc1nc(C(C)C)sc1-c1ccccc1.Cc1nc(C(C)C)sc1C.c1ccncc1.c1ccncc1
InChIInChI=1S/C14H17N.C13H15NO.C13H15NS.C13H14.3C12H13N.C11H14N2.2C11H13N.C11H11N.2C10H12N2.C10H11NO.C10H11NS.C9H12.C8H13NS.2C5H5N.C4H10/c1-10(2)14-9-13(11(3)15-14)12-7-5-4-6-8-12;2*1-9(2)13-14-10(3)12(15-13)11-7-5-4-6-8-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-6-4-3-5-7-9;1-5(2)8-9-6(3)7(4)10-8;2*1-2-4-6-5-3-1;1-4(2)3/h4-8,10H,9H2,1-3H3;2*4-9H,1-3H3;3-10H,1-2H3;3*3-9H,1-2H3;4-8H,1-3H3;2*3-8,12H,1-2H3;2-9H,1H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-8H,1-2H3;5H,1-4H3;2*1-5H;4H,1-3H3
InChIKeyLDNREGFPWRUCBL-UHFFFAOYSA-N
XLogP59.07
TPSA267.85 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003102.52
LogP ≤ 559.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine) with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-phenyl-4-propan-2-ylcarbazole;1-phenyl-2-(4-propan-2-ylphenyl)benzimidazole;4-propan-2-ylbenzonitrile;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;2-(4-propan-2-ylphenyl)-1,3-benzothiazole;2-(4-propan-2-ylphenyl)-1,3-benzoxazole;9-(4-propan-2-ylphenyl)carbazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 157063515
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-[3-[5-(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 157966551
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
CID 158633368
CID 158633368
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160153675

Frequently Asked Questions

What is the IUPAC name of cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)?
The IUPAC name of cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine) (CID 159319237) is cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine).
What is the SMILES notation for cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)?
The canonical SMILES for cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine) is CC(C)C.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccccc1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccc2c1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC1=C(c2ccccc2)CC(C(C)C)=N1.Cc1ccn(-c2ccccc2)c1.Cc1nc(C(C)C)oc1-c1ccccc1.Cc1nc(C(C)C)sc1-c1ccccc1.Cc1nc(C(C)C)sc1C.c1ccncc1.c1ccncc1.
What is the InChIKey of cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)?
The InChIKey is LDNREGFPWRUCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C13H15NO.C13H15NS.C13H14.3C12H13N.C11H14N2.2C11H13N.C11H11N.2C10H12N2.C10H11NO.C10H11NS.C9H12.C8H13NS.2C5H5N.C4H10/c1-10(2)14-9-13(11(3)15-14)12-7-5-4-6-8-12;2*1-9(2)13-14-10(3)12(15-13)11-7-5-4-6-8-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-6-4-3-5-7-9;1-5(2)8-9-6(3)7(4)10-8;2*1-2-4-6-5-3-1;1-4(2)3/h4-8,10H,9H2,1-3H3;2*4-9H,1-3H3;3-10H,1-2H3;3*3-9H,1-2H3;4-8H,1-3H3;2*3-8,12H,1-2H3;2-9H,1H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-8H,1-2H3;5H,1-4H3;2*1-5H;4H,1-3H3.
What are the key properties of cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)?
cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine) has a molecular weight of 3102.52 g/mol, XLogP of 59.07, 20 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-phenyl-2-propan-2-yl-3H-pyrrole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;3-methyl-1-phenylpyrrole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine) is sourced from PubChem (CID 159319237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).