bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline

C229H253N21O4S6 — CID 158962086

IUPACbis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
SMILESCC(C)c1cc2ccccc2s1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1csc2ccccc12.CC(C)c1ncc2ccccc2n1
InChIInChI=1S/5C12H13N.3C11H12N2.4C11H12O.2C11H12S.3C10H12N2.4C10H11NS/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;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;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;2*1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h5*3-9H,1-2H3;3*3-8H,1-2H3;6*3-8H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3
InChIKeyJMTAWPALQZGBAH-UHFFFAOYSA-N
MW3556.09 g/mol
LogP69.06
Rot. Bonds21

About bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline

bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline (PubChem CID 158962086) has the molecular formula C229H253N21O4S6 and a molecular weight of 3556.09 g/mol. Its IUPAC name is bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline.

Molecular Properties

Compound Namebis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
PubChem CID158962086
Molecular FormulaC229H253N21O4S6
Molecular Weight3556.09 g/mol
Exact Mass3552.86
IUPAC Namebis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
SMILESCC(C)c1cc2ccccc2s1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1csc2ccccc12.CC(C)c1ncc2ccccc2n1
InChIInChI=1S/5C12H13N.3C11H12N2.4C11H12O.2C11H12S.3C10H12N2.4C10H11NS/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;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;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;2*1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h5*3-9H,1-2H3;3*3-8H,1-2H3;6*3-8H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3
InChIKeyJMTAWPALQZGBAH-UHFFFAOYSA-N
XLogP69.06
TPSA331.95 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003556.09
LogP ≤ 569.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

3-[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-1H-isoindol-5-yl]-5,5-dimethylcyclohex-2-en-1-one;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-isoindole;5,5-dimethyl-3-[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-isoindol-5-yl]cyclohex-2-en-1-one;4-[6-[6-(furan-3-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[6-(2-methyl-1,3-thiazol-5-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;4-[6-(6-thiophen-3-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 157764382
6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-6-chloropyridine;2-tert-butyl-5-chlorothiophene;tert-butylcycloheptane;tert-butylcyclohexane;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;3-tert-butylisoquinoline;5-tert-butyl-3-methyl-1-benzofuran;5-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine;4-tert-butyl-2-pyrrolidin-1-ylpyridine;3-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)thiophene;bis(2,2-dimethylpentane);2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;1-(2,2-dimethylpropyl)piperidine;3-(2,2-dimethylpropyl)thiophene;2,4-dimethylpyridine;2-methylbutane;N-methylcyclopentanamine;2,2,4,4-tetramethylpentane;2,2,5-trimethylhexane;bis(1,3-xylene)
CID 161083109
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
1-[6-(3,5-Dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 157070942
1,3-Ditert-butylbenzene;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1-benzofuran;1,4-ditert-butyl-2,5-dimethylbenzene;3,6-ditert-butyl-2,4-dimethylpyridine;2,5-ditert-butyl-1-methylimidazole;2,4-ditert-butyl-1-methylindole;2,6-ditert-butyl-1-methylindole;3,5-ditert-butyl-1-methylpyrazole;3,6-ditert-butyl-4-methylpyridazine;2,5-ditert-butyl-1-methylpyrrole;2,5-ditert-butylpyrazine;2,4-ditert-butylpyridine;2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;2,5-ditert-butylthiophene;2,5-ditert-butyl-1,3,7-trimethylindole
CID 157077113
5-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157085276
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-4-propan-2-yltriazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-1-benzofuran;4,5,6,7-tetramethyl-2-propan-2-yl-1-benzothiophene;1,4,6,7-tetramethyl-5-propan-2-ylindole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;4,6,7-trimethyl-5-propan-2-yl-1-benzothiophene;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,4,5-trimethyl-2-propan-2-ylimidazole;1,4,6-trimethyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
CID 157086512
3-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
CID 157145058
cumene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157160801
CID 157174322
CID 157174322
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;benzene;1-benzofuran;1,3-benzothiazole;1,1'-biphenyl;1H-imidazole;1H-indole;3H-indole;methyl 2-(4-phenylphenyl)acetate;1-methyl-4-phenyltriazole;naphthalene;piperidine;bis(pyridine);quinoline
CID 157200309

Frequently Asked Questions

What is the IUPAC name of bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The IUPAC name of bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline (CID 158962086) is bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline.
What is the SMILES notation for bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The canonical SMILES for bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline is CC(C)c1cc2ccccc2s1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1csc2ccccc12.CC(C)c1ncc2ccccc2n1.
What is the InChIKey of bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The InChIKey is JMTAWPALQZGBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H13N.3C11H12N2.4C11H12O.2C11H12S.3C10H12N2.4C10H11NS/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;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;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;2*1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h5*3-9H,1-2H3;3*3-8H,1-2H3;6*3-8H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3.
What are the key properties of bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline has a molecular weight of 3556.09 g/mol, XLogP of 69.06, 21 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline is sourced from PubChem (CID 158962086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).