bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene

C228H280N44O7S7 — CID 162090409

IUPACbis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene
SMILESCC1=CCC=C1.CC1=CCC=C1.CC1=CCC=N1.CC1=CCN=C1.CC1=NCC=C1.CC1=NCC=N1.CC1=NCC=N1.CC1=NCN=C1.CC1=NCN=C1.Cc1cc[nH]c1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2ccccc2c1.Cc1ccc[nH]1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cncs1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncccn1.Cc1ncco1.Cc1ncco1.Cc1nccs1.Cc1nccs1.Cc1ncno1.Cn1cccc1
InChIInChI=1S/C13H12.2C11H10.2C7H8.4C6H7N.2C6H8.5C5H6N2.6C5H7N.3C5H6O.2C5H6S.7C4H6N2.3C4H5NO.5C4H5NS.C3H4N2O/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;2*1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;2*1-5-2-3-6-4-5;1-6-4-2-3-5-6;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-5-3-2-4-6-5;3*1-4-2-5-3-6-4;6*1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-3-4-2-5-6-3/h2-10H,1H3;2*2-8H,1H3;2*2-6H,1H3;4*2-5H,1H3;2*2,4-5H,3H2,1H3;5*2-4H,1H3;2,4H,3H2,1H3;2-4,6H,1H3;2-5H,1H3;3-4H,2H2,1H3;2-3H,4H2,1H3;2-4,6H,1H3;5*2-4H,1H3;2*2H,3H2,1H3;2-3H,1H3,(H,5,6);2*2H,3H2,1H3;2*2-3H,1H3,(H,5,6);8*2-3H,1H3;2H,1H3
InChIKeyZDNJTBMZDPAFOX-UHFFFAOYSA-N
MW3973.52 g/mol
LogP57.86
Rot. Bonds1

About bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene

bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene (PubChem CID 162090409) has the molecular formula C228H280N44O7S7 and a molecular weight of 3973.52 g/mol. Its IUPAC name is bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene.

Molecular Properties

Compound Namebis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene
PubChem CID162090409
Molecular FormulaC228H280N44O7S7
Molecular Weight3973.52 g/mol
Exact Mass3970.10
IUPAC Namebis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene
SMILESCC1=CCC=C1.CC1=CCC=C1.CC1=CCC=N1.CC1=CCN=C1.CC1=NCC=C1.CC1=NCC=N1.CC1=NCC=N1.CC1=NCN=C1.CC1=NCN=C1.Cc1cc[nH]c1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2ccccc2c1.Cc1ccc[nH]1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cncs1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncccn1.Cc1ncco1.Cc1ncco1.Cc1nccs1.Cc1nccs1.Cc1ncno1.Cn1cccc1
InChIInChI=1S/C13H12.2C11H10.2C7H8.4C6H7N.2C6H8.5C5H6N2.6C5H7N.3C5H6O.2C5H6S.7C4H6N2.3C4H5NO.5C4H5NS.C3H4N2O/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;2*1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;2*1-5-2-3-6-4-5;1-6-4-2-3-5-6;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-5-3-2-4-6-5;3*1-4-2-5-3-6-4;6*1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-3-4-2-5-6-3/h2-10H,1H3;2*2-8H,1H3;2*2-6H,1H3;4*2-5H,1H3;2*2,4-5H,3H2,1H3;5*2-4H,1H3;2,4H,3H2,1H3;2-4,6H,1H3;2-5H,1H3;3-4H,2H2,1H3;2-3H,4H2,1H3;2-4,6H,1H3;5*2-4H,1H3;2*2H,3H2,1H3;2-3H,1H3,(H,5,6);2*2H,3H2,1H3;2*2-3H,1H3,(H,5,6);8*2-3H,1H3;2H,1H3
InChIKeyZDNJTBMZDPAFOX-UHFFFAOYSA-N
XLogP57.86
TPSA659.85 Ų
H-Bond Donors5
H-Bond Acceptors53
Rotatable Bonds1
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003973.52
LogP ≤ 557.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1053

Analyze bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene with MolForge

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Related Compounds

1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 167548631
methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene
CID 158465217
methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene
CID 157311089
methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene
CID 157498301
2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole
CID 162135090
ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157215772
ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 158146508
ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-4H-imidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158233613
methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158284889
carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)
CID 159112707
ethane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;2-methyl-4H-imidazole;5-methyl-4H-imidazole;2-methyl-1H-indene;3-methyl-1H-indene;2-methylpyrazine;3-methyl-4H-pyrazole;3-methylpyridazine;bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;toluene
CID 162033572
1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene)
CID 161101701

Frequently Asked Questions

What is the IUPAC name of bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene?
The IUPAC name of bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene (CID 162090409) is bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene.
What is the SMILES notation for bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene?
The canonical SMILES for bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene is CC1=CCC=C1.CC1=CCC=C1.CC1=CCC=N1.CC1=CCN=C1.CC1=NCC=C1.CC1=NCC=N1.CC1=NCC=N1.CC1=NCN=C1.CC1=NCN=C1.Cc1cc[nH]c1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2ccccc2c1.Cc1ccc[nH]1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cncs1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncccn1.Cc1ncco1.Cc1ncco1.Cc1nccs1.Cc1nccs1.Cc1ncno1.Cn1cccc1.
What is the InChIKey of bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene?
The InChIKey is ZDNJTBMZDPAFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.2C11H10.2C7H8.4C6H7N.2C6H8.5C5H6N2.6C5H7N.3C5H6O.2C5H6S.7C4H6N2.3C4H5NO.5C4H5NS.C3H4N2O/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;2*1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;2*1-5-2-3-6-4-5;1-6-4-2-3-5-6;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-5-3-2-4-6-5;3*1-4-2-5-3-6-4;6*1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-3-4-2-5-6-3/h2-10H,1H3;2*2-8H,1H3;2*2-6H,1H3;4*2-5H,1H3;2*2,4-5H,3H2,1H3;5*2-4H,1H3;2,4H,3H2,1H3;2-4,6H,1H3;2-5H,1H3;3-4H,2H2,1H3;2-3H,4H2,1H3;2-4,6H,1H3;5*2-4H,1H3;2*2H,3H2,1H3;2-3H,1H3,(H,5,6);2*2H,3H2,1H3;2*2-3H,1H3,(H,5,6);8*2-3H,1H3;2H,1H3.
What are the key properties of bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene?
bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene has a molecular weight of 3973.52 g/mol, XLogP of 57.86, 1 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene is sourced from PubChem (CID 162090409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).