3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine

C239H381N27O2S2 — CID 161343133

IUPAC3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=CC=C2C=CC=CC21.CC(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1c2ccccc2nn1C.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2s1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.Cc1cccc(C(C)C)c1.Cn1ccc2nccn21.c1ccc2ccccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cn2ccnc2cn1.c1cnc2cccn2c1.c1cnc2nccn2c1
InChIInChI=1S/C13H16.C12H15N.3C11H14N2.C11H15NO.C10H11NO.2C10H11NS.C10H8.C10H14.C8H7N.3C7H6N2.C6H7N3.2C6H5N3.7C5H12.C4H10.17C2H6/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-2-6-10-8-4-3-7-9(10)5-1;1-8(2)10-6-4-5-9(3)7-10;1-2-6-9-7-3-5-8(9)4-1;1-3-7-8-4-2-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-8-4-2-6-7-3-5-9(6)8;1-3-9-4-2-8-6(9)5-7-1;1-2-7-6-8-3-5-9(6)4-1;7*1-5(2,3)4;1-4(2)3;17*1-2/h4-9,11H,1-3H3;4-9H,1-3H3;3*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;3*3-7H,1-2H3;1-8H;4-8H,1-3H3;1-7H;3*1-6H;2-5H,1H3;2*1-5H;7*1-4H3;4H,1-3H3;17*1-2H3
InChIKeyVMYAKFQQHHOZFY-UHFFFAOYSA-N
MW3729.00 g/mol
LogP73.93
Rot. Bonds9

About 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine

3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine (PubChem CID 161343133) has the molecular formula C239H381N27O2S2 and a molecular weight of 3729.00 g/mol. Its IUPAC name is 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine
PubChem CID161343133
Molecular FormulaC239H381N27O2S2
Molecular Weight3729.00 g/mol
Exact Mass3726.00
IUPAC Name3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=CC=C2C=CC=CC21.CC(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1c2ccccc2nn1C.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2s1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.Cc1cccc(C(C)C)c1.Cn1ccc2nccn21.c1ccc2ccccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cn2ccnc2cn1.c1cnc2cccn2c1.c1cnc2nccn2c1
InChIInChI=1S/C13H16.C12H15N.3C11H14N2.C11H15NO.C10H11NO.2C10H11NS.C10H8.C10H14.C8H7N.3C7H6N2.C6H7N3.2C6H5N3.7C5H12.C4H10.17C2H6/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-2-6-10-8-4-3-7-9(10)5-1;1-8(2)10-6-4-5-9(3)7-10;1-2-6-9-7-3-5-8(9)4-1;1-3-7-8-4-2-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-8-4-2-6-7-3-5-9(6)8;1-3-9-4-2-8-6(9)5-7-1;1-2-7-6-8-3-5-9(6)4-1;7*1-5(2,3)4;1-4(2)3;17*1-2/h4-9,11H,1-3H3;4-9H,1-3H3;3*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;3*3-7H,1-2H3;1-8H;4-8H,1-3H3;1-7H;3*1-6H;2-5H,1H3;2*1-5H;7*1-4H3;4H,1-3H3;17*1-2H3
InChIKeyVMYAKFQQHHOZFY-UHFFFAOYSA-N
XLogP73.93
TPSA269.43 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds9
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003729.00
LogP ≤ 573.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine with MolForge

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Related Compounds

1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 161057089
CID 167564541
CID 167564541
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 157117987
3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine)
CID 157130056
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;bis(imidazo[1,2-a]pyrazine);bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157236367
1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline
CID 157244518
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;bis(cyclopenta-1,3-diene);tetrakis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;naphthalene;pyrazine;bis(pyridine);pyrimidine;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157254504
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157279739
3a,4,5,6,7,7a-hexahydro-1-benzothiophene;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;imidazo[1,2-a]pyrazine;tris(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;naphthalene;pyrazine;pyridazine;bis(pyridine);2H-pyrrole;quinazoline;quinoline;3H-quinolin-4-one;quinoxaline
CID 157319589
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;6-tert-butylquinoxaline;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole
CID 157524323
7-methyl-3H-benzo[e]indazole;3-methyl-2H-benzo[g]indazole;3-methyl-4,5-dihydrobenzo[g][1,2]benzoxazole;3-methyl-4,5-dihydrobenzo[g][2,1]benzoxazole;3-methyl-4,5-dihydro-2H-benzo[g]indazole;3-methyl-4,5-dihydropyrazolo[1,5-a]quinoline;2-methylimidazo[2,1-b][1,3]benzothiazole;3-methyltriazolo[1,5-a]quinazoline;3-methyltriazolo[1,5-a]quinoline
CID 157717962
benzene;bis(1H-benzimidazole);1,3-benzothiazole;bis(1-benzothiophene);1,2-benzoxazole;ethane;1H-imidazole;bis(1H-indazole);bis(1H-indole);2-methyl-1,3-benzothiazole;3-methyl-1,2-benzoxazole;2-methyl-[1,3]thiazolo[4,5-b]pyrazine;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;naphthalene;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;1H-pyrrole;quinoline;1,3-thiazole;bis(thieno[2,3-b]pyrazine);bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thiophene
CID 157850467

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
The IUPAC name of 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine (CID 161343133) is 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=CC=C2C=CC=CC21.CC(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1c2ccccc2nn1C.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2s1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.Cc1cccc(C(C)C)c1.Cn1ccc2nccn21.c1ccc2ccccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cn2ccnc2cn1.c1cnc2cccn2c1.c1cnc2nccn2c1.
What is the InChIKey of 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
The InChIKey is VMYAKFQQHHOZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.C12H15N.3C11H14N2.C11H15NO.C10H11NO.2C10H11NS.C10H8.C10H14.C8H7N.3C7H6N2.C6H7N3.2C6H5N3.7C5H12.C4H10.17C2H6/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-2-6-10-8-4-3-7-9(10)5-1;1-8(2)10-6-4-5-9(3)7-10;1-2-6-9-7-3-5-8(9)4-1;1-3-7-8-4-2-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-8-4-2-6-7-3-5-9(6)8;1-3-9-4-2-8-6(9)5-7-1;1-2-7-6-8-3-5-9(6)4-1;7*1-5(2,3)4;1-4(2)3;17*1-2/h4-9,11H,1-3H3;4-9H,1-3H3;3*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;3*3-7H,1-2H3;1-8H;4-8H,1-3H3;1-7H;3*1-6H;2-5H,1H3;2*1-5H;7*1-4H3;4H,1-3H3;17*1-2H3.
What are the key properties of 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine has a molecular weight of 3729.00 g/mol, XLogP of 73.93, 9 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3aH-indene;heptakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;5-methylimidazo[1,2-b]pyrazole;2-methylpropane;1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;naphthalene;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 161343133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).