3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene

C197H218F3N5O6S4 — CID 157127380

IUPAC3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene
SMILESCC1=C(C)c2ccc(C)cc2C1.Cc1ccc2c(c1)CC2.Cc1ccc2c(c1)CC=C2.Cc1ccc2c(c1)CC=N2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2(F)F.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCCC2.Cc1ccc2c(c1)CCCCCC2.Cc1ccc2c(c1)OC(C)(F)C2.Cc1ccc2c(c1)OC(C)S2.Cc1ccc2c(c1)OCC2.Cc1ccc2c(c1)OCS2.Cc1ccc2ccccc2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1
InChIInChI=1S/C13H18.C12H14.C12H16.C11H14.C11H10.C10H10F2.C10H11FO.3C10H12.C10H10.C9H9NO.C9H9NS.C9H9N.C9H10OS.C9H10O.C9H10.C8H7NO.C8H7NS.C8H8OS/c1-11-8-9-12-6-4-2-3-5-7-13(12)10-11;1-8-4-5-12-10(3)9(2)7-11(12)6-8;1-10-7-8-11-5-3-2-4-6-12(11)9-10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-2-3-9-8(6-7)4-5-10(9,11)12;1-7-3-4-8-6-10(2,11)12-9(8)5-7;4*1-8-5-6-9-3-2-4-10(9)7-8;2*1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-6-3-4-9-8(5-6)10-7(2)11-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-4-5-9(8)6-7;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8/h8-10H,2-7H2,1H3;4-6H,7H2,1-3H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;2-8H,1H3;2-3,6H,4-5H2,1H3;3-5H,6H2,1-2H3;3*5-7H,2-4H2,1H3;2-3,5-7H,4H2,1H3;2*3-5H,1-2H3;2-3,5-6H,4H2,1H3;3-5,7H,1-2H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2*2-5H,1H3;2-4H,5H2,1H3
InChIKeyAIQXGOHJMGDBRC-UHFFFAOYSA-N
MW2937.20 g/mol
LogP53.59
Rot. Bonds

About 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene

3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene (PubChem CID 157127380) has the molecular formula C197H218F3N5O6S4 and a molecular weight of 2937.20 g/mol. Its IUPAC name is 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene.

Molecular Properties

Compound Name3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene
PubChem CID157127380
Molecular FormulaC197H218F3N5O6S4
Molecular Weight2937.20 g/mol
Exact Mass2934.57
IUPAC Name3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene
SMILESCC1=C(C)c2ccc(C)cc2C1.Cc1ccc2c(c1)CC2.Cc1ccc2c(c1)CC=C2.Cc1ccc2c(c1)CC=N2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2(F)F.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCCC2.Cc1ccc2c(c1)CCCCCC2.Cc1ccc2c(c1)OC(C)(F)C2.Cc1ccc2c(c1)OC(C)S2.Cc1ccc2c(c1)OCC2.Cc1ccc2c(c1)OCS2.Cc1ccc2ccccc2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1
InChIInChI=1S/C13H18.C12H14.C12H16.C11H14.C11H10.C10H10F2.C10H11FO.3C10H12.C10H10.C9H9NO.C9H9NS.C9H9N.C9H10OS.C9H10O.C9H10.C8H7NO.C8H7NS.C8H8OS/c1-11-8-9-12-6-4-2-3-5-7-13(12)10-11;1-8-4-5-12-10(3)9(2)7-11(12)6-8;1-10-7-8-11-5-3-2-4-6-12(11)9-10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-2-3-9-8(6-7)4-5-10(9,11)12;1-7-3-4-8-6-10(2,11)12-9(8)5-7;4*1-8-5-6-9-3-2-4-10(9)7-8;2*1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-6-3-4-9-8(5-6)10-7(2)11-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-4-5-9(8)6-7;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8/h8-10H,2-7H2,1H3;4-6H,7H2,1-3H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;2-8H,1H3;2-3,6H,4-5H2,1H3;3-5H,6H2,1-2H3;3*5-7H,2-4H2,1H3;2-3,5-7H,4H2,1H3;2*3-5H,1-2H3;2-3,5-6H,4H2,1H3;3-5,7H,1-2H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2*2-5H,1H3;2-4H,5H2,1H3
InChIKeyAIQXGOHJMGDBRC-UHFFFAOYSA-N
XLogP53.59
TPSA127.12 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002937.20
LogP ≤ 553.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene with MolForge

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Launch Full Analysis

Related Compounds

methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 158586125
2-[6-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 162096067
5-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-3H-indole;7-tert-butyl-2-(trifluoromethyl)-3H-indole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole
CID 167638320
methane;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-propan-2-yl-1-benzofuran;bis(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;1-(5-propan-2-yl-1,3-benzothiazol-2-yl)propan-2-one;6-propan-2-yl-1,3-benzoxazole;1-(5-propan-2-yl-1,3-benzoxazol-2-yl)propan-2-one
CID 157072065
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-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole);5-propan-2-yl-1H-indene
CID 157078463
Tris(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-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)
CID 157204477
bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;4-methyl-2-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole
CID 157340319
2,3,5-trimethyl-6-[3-(5-methyl-1,3-benzothiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(6-methyl-1,3-benzothiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-1,3-benzoxazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(4-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(6-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-1,3-thiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1,3-oxazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione
CID 157609499
2,3-Ditert-butyl-1-benzofuran;2,3-ditert-butyl-1-benzothiophene;4,5-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;4,5-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole
CID 158186825
N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine
CID 158205432
N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-9-yl)phenyl]naphthalen-2-amine
CID 158215236
4,6-Di(propan-2-yl)-1-benzofuran;bis(4,7-di(propan-2-yl)-1-benzofuran);5,7-di(propan-2-yl)-1-benzofuran;4,6-di(propan-2-yl)-1,3-benzothiazole;4,6-di(propan-2-yl)-1-benzothiophene;bis(4,7-di(propan-2-yl)-1-benzothiophene);4,6-di(propan-2-yl)-1,3-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;6,8-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline
CID 158641750

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene?
The IUPAC name of 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene (CID 157127380) is 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene.
What is the SMILES notation for 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene?
The canonical SMILES for 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene is CC1=C(C)c2ccc(C)cc2C1.Cc1ccc2c(c1)CC2.Cc1ccc2c(c1)CC=C2.Cc1ccc2c(c1)CC=N2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2(F)F.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCCC2.Cc1ccc2c(c1)CCCCCC2.Cc1ccc2c(c1)OC(C)(F)C2.Cc1ccc2c(c1)OC(C)S2.Cc1ccc2c(c1)OCC2.Cc1ccc2c(c1)OCS2.Cc1ccc2ccccc2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.
What is the InChIKey of 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene?
The InChIKey is AIQXGOHJMGDBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C12H14.C12H16.C11H14.C11H10.C10H10F2.C10H11FO.3C10H12.C10H10.C9H9NO.C9H9NS.C9H9N.C9H10OS.C9H10O.C9H10.C8H7NO.C8H7NS.C8H8OS/c1-11-8-9-12-6-4-2-3-5-7-13(12)10-11;1-8-4-5-12-10(3)9(2)7-11(12)6-8;1-10-7-8-11-5-3-2-4-6-12(11)9-10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-2-3-9-8(6-7)4-5-10(9,11)12;1-7-3-4-8-6-10(2,11)12-9(8)5-7;4*1-8-5-6-9-3-2-4-10(9)7-8;2*1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-6-3-4-9-8(5-6)10-7(2)11-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-4-5-9(8)6-7;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8/h8-10H,2-7H2,1H3;4-6H,7H2,1-3H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;2-8H,1H3;2-3,6H,4-5H2,1H3;3-5H,6H2,1-2H3;3*5-7H,2-4H2,1H3;2-3,5-7H,4H2,1H3;2*3-5H,1-2H3;2-3,5-6H,4H2,1H3;3-5,7H,1-2H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2*2-5H,1H3;2-4H,5H2,1H3.
What are the key properties of 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene?
3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene has a molecular weight of 2937.20 g/mol, XLogP of 53.59, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene is sourced from PubChem (CID 157127380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).