4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene

C130H182N24O2S3 — CID 157466511

IUPAC4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
SMILESCC(C)c1nnc2ccccn12.Cc1c(C)c(C)c2c(C)c(C)c(C(C)C)nc2c1C.Cc1c(C)c(C)c2sc(C(C)C)nc2c1C.Cc1ccc2c(C)nc(C(C)C)nc2c1.Cc1ccc2ncnc(C(C)C)c2c1.Cc1ccc2nnc(C(C)C)n2n1.Cc1cnc2nnc(C(C)C)n2n1.Cc1nnc2nnc(C(C)C)n2n1.Cc1oc(C(C)C)c(C)c1C.Cc1oc(C)c(C(C)C)c1C.Cc1sc(C(C)C)c(C)c1C.Cc1sc(C)c(C(C)C)c1C
InChIInChI=1S/C18H25N.C14H19NS.C13H16N2.C12H14N2.2C10H16O.2C10H16S.C9H12N4.C9H11N3.C8H11N5.C7H10N6/c1-9(2)17-15(8)13(6)16-12(5)10(3)11(4)14(7)18(16)19-17;1-7(2)14-15-12-10(5)8(3)9(4)11(6)13(12)16-14;1-8(2)13-14-10(4)11-6-5-9(3)7-12(11)15-13;1-8(2)12-10-6-9(3)4-5-11(10)13-7-14-12;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)9-11-10-8-5-4-7(3)12-13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-5(2)7-10-11-8-9-4-6(3)12-13(7)8;1-4(2)6-9-11-7-10-8-5(3)12-13(6)7/h9H,1-8H3;7H,1-6H3;5-8H,1-4H3;4-8H,1-3H3;4*6H,1-5H3;4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;4H,1-3H3
InChIKeyBUNSUUHCASEVSW-UHFFFAOYSA-N
MW2209.25 g/mol
LogP35.25
Rot. Bonds12

About 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene

4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene (PubChem CID 157466511) has the molecular formula C130H182N24O2S3 and a molecular weight of 2209.25 g/mol. Its IUPAC name is 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene.

Molecular Properties

Compound Name4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
PubChem CID157466511
Molecular FormulaC130H182N24O2S3
Molecular Weight2209.25 g/mol
Exact Mass2207.40
IUPAC Name4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
SMILESCC(C)c1nnc2ccccn12.Cc1c(C)c(C)c2c(C)c(C)c(C(C)C)nc2c1C.Cc1c(C)c(C)c2sc(C(C)C)nc2c1C.Cc1ccc2c(C)nc(C(C)C)nc2c1.Cc1ccc2ncnc(C(C)C)c2c1.Cc1ccc2nnc(C(C)C)n2n1.Cc1cnc2nnc(C(C)C)n2n1.Cc1nnc2nnc(C(C)C)n2n1.Cc1oc(C(C)C)c(C)c1C.Cc1oc(C)c(C(C)C)c1C.Cc1sc(C(C)C)c(C)c1C.Cc1sc(C)c(C(C)C)c1C
InChIInChI=1S/C18H25N.C14H19NS.C13H16N2.C12H14N2.2C10H16O.2C10H16S.C9H12N4.C9H11N3.C8H11N5.C7H10N6/c1-9(2)17-15(8)13(6)16-12(5)10(3)11(4)14(7)18(16)19-17;1-7(2)14-15-12-10(5)8(3)9(4)11(6)13(12)16-14;1-8(2)13-14-10(4)11-6-5-9(3)7-12(11)15-13;1-8(2)12-10-6-9(3)4-5-11(10)13-7-14-12;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)9-11-10-8-5-4-7(3)12-13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-5(2)7-10-11-8-9-4-6(3)12-13(7)8;1-4(2)6-9-11-7-10-8-5(3)12-13(6)7/h9H,1-8H3;7H,1-6H3;5-8H,1-4H3;4-8H,1-3H3;4*6H,1-5H3;4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;4H,1-3H3
InChIKeyBUNSUUHCASEVSW-UHFFFAOYSA-N
XLogP35.25
TPSA301.72 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002209.25
LogP ≤ 535.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

20-[4-Dibenzofuran-1-yl-5,6-bis(ethenyl)pyrimidin-2-yl]-4,5-bis(ethenyl)-3-thia-18,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),4,7,9,11,14(19),15,17-nonaene;ethane;3-(4-phenylquinazolin-2-yl)-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 142304851
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
7-[9-(4-Dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]quinoline;6-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-c]quinazoline;2-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-4-yl]-4-phenylquinoline;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenylquinoline;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]quinazoline
CID 157094150
anthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole
CID 157101299
3,9-Dimethyl-2-(1,2,5-trimethyl-1,2,4-triazol-2-ium-3-yl)carbazole;ethane;1,2,4,5,6,7,11-heptamethylphenanthro[9,10-d]triazol-1-ium;5-methyl-4-(1,2,5-trimethyl-1,2,4-triazol-2-ium-3-yl)pyrimidine;1,2,3-trimethyl-5-(2-methyldibenzofuran-3-yl)-1,2,4-triazol-1-ium;1,2,3-trimethyl-5-(2-methyldibenzothiophen-3-yl)-1,2,4-triazol-1-ium
CID 157143661
8-(3-Dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole
CID 157157654
CID 157174322
CID 157174322
9-[3-(4-Dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 157176509
19-[4,6-Bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-15-thia-4,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;8-dibenzofuran-2-yl-4-(2,5-diphenyl-1,2,4-triazol-3-yl)-19-phenyl-15-thia-4,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17,20,22,24,26-dodecaene;14-(3,5-dimethylphenyl)-29-(2,4-diphenylpyrimidin-5-yl)-18-thia-14,29-diazaoctacyclo[15.14.0.03,15.04,13.07,12.019,31.022,30.023,28]hentriaconta-1(17),2,4(13),5,7,9,11,15,19(31),20,22(30),23,25,27-tetradecaene
CID 157184092
12-(4-Dibenzofuran-1-ylphenyl)-22-thia-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;12-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-6-(9-phenylcarbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,2,3,5-tetrazin-2-ium-2-yl)carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 157221930
2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline
CID 157244457

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene?
The IUPAC name of 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene (CID 157466511) is 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene.
What is the SMILES notation for 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene?
The canonical SMILES for 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene is CC(C)c1nnc2ccccn12.Cc1c(C)c(C)c2c(C)c(C)c(C(C)C)nc2c1C.Cc1c(C)c(C)c2sc(C(C)C)nc2c1C.Cc1ccc2c(C)nc(C(C)C)nc2c1.Cc1ccc2ncnc(C(C)C)c2c1.Cc1ccc2nnc(C(C)C)n2n1.Cc1cnc2nnc(C(C)C)n2n1.Cc1nnc2nnc(C(C)C)n2n1.Cc1oc(C(C)C)c(C)c1C.Cc1oc(C)c(C(C)C)c1C.Cc1sc(C(C)C)c(C)c1C.Cc1sc(C)c(C(C)C)c1C.
What is the InChIKey of 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene?
The InChIKey is BUNSUUHCASEVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N.C14H19NS.C13H16N2.C12H14N2.2C10H16O.2C10H16S.C9H12N4.C9H11N3.C8H11N5.C7H10N6/c1-9(2)17-15(8)13(6)16-12(5)10(3)11(4)14(7)18(16)19-17;1-7(2)14-15-12-10(5)8(3)9(4)11(6)13(12)16-14;1-8(2)13-14-10(4)11-6-5-9(3)7-12(11)15-13;1-8(2)12-10-6-9(3)4-5-11(10)13-7-14-12;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)9-11-10-8-5-4-7(3)12-13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-5(2)7-10-11-8-9-4-6(3)12-13(7)8;1-4(2)6-9-11-7-10-8-5(3)12-13(6)7/h9H,1-8H3;7H,1-6H3;5-8H,1-4H3;4-8H,1-3H3;4*6H,1-5H3;4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;4H,1-3H3.
What are the key properties of 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene?
4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene has a molecular weight of 2209.25 g/mol, XLogP of 35.25, 12 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;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-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene is sourced from PubChem (CID 157466511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).