bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

C313H467Cl2F10N23O5S3 — CID 161363753

IUPACbis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC=C1C(C(C)C)CCN1C.CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)C1CC(=O)N(C)C1.CC(C)C1CCCCC1O.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)n1cccc1.CC1=CC=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccccc1C(C)C.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C11H13F3.2C10H13Cl.C10H11F3.C10H13F.2C10H17N.C10H16O.C10H16S.3C10H14.C9H10F3N.C9H16N2.C9H17N.C9H13N.C9H18O.C9H14.C9H12.C8H14N2.C8H15NO.2C8H13N.3C8H11N.C8H12O.C8H12S.C8H12.3C7H10N2.2C7H11N.C7H10O.C7H10S/c1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-6-10(4)8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-4-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;1-6(2)7-4-8(10)9(3)5-7;1-6(2)8-4-7(3)9-5-8;1-7(2)9-5-4-8(3)6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7/h4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;3*4-8H,1-3H3;3-6H,1-2H3;5-7H,1-4H3,(H,10,11);7,9H,3,5-6H2,1-2,4H3;4-7H,1-3H3;7-10H,3-6H2,1-2H3;4-5,7H,6H2,1-3H3;3-8H,1-2H3;5-6H,1-4H3;6-7H,4-5H2,1-3H3;5-6H,4H2,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-5,7H,6H2,1-2H3;3*3-6H,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyVPNPJIOWMSLVJL-UHFFFAOYSA-N
MW4989.42 g/mol
LogP97.44
Rot. Bonds41

About bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 161363753) has the molecular formula C313H467Cl2F10N23O5S3 and a molecular weight of 4989.42 g/mol. Its IUPAC name is bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID161363753
Molecular FormulaC313H467Cl2F10N23O5S3
Molecular Weight4989.42 g/mol
Exact Mass4984.54
IUPAC Namebis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC=C1C(C(C)C)CCN1C.CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)C1CC(=O)N(C)C1.CC(C)C1CCCCC1O.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)n1cccc1.CC1=CC=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccccc1C(C)C.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C11H13F3.2C10H13Cl.C10H11F3.C10H13F.2C10H17N.C10H16O.C10H16S.3C10H14.C9H10F3N.C9H16N2.C9H17N.C9H13N.C9H18O.C9H14.C9H12.C8H14N2.C8H15NO.2C8H13N.3C8H11N.C8H12O.C8H12S.C8H12.3C7H10N2.2C7H11N.C7H10O.C7H10S/c1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-6-10(4)8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-4-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;1-6(2)7-4-8(10)9(3)5-7;1-6(2)8-4-7(3)9-5-8;1-7(2)9-5-4-8(3)6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7/h4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;3*4-8H,1-3H3;3-6H,1-2H3;5-7H,1-4H3,(H,10,11);7,9H,3,5-6H2,1-2,4H3;4-7H,1-3H3;7-10H,3-6H2,1-2H3;4-5,7H,6H2,1-3H3;3-8H,1-2H3;5-6H,1-4H3;6-7H,4-5H2,1-3H3;5-6H,4H2,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-5,7H,6H2,1-2H3;3*3-6H,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyVPNPJIOWMSLVJL-UHFFFAOYSA-N
XLogP97.44
TPSA326.79 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds41
Heavy Atoms356
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004989.42
LogP ≤ 597.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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What is the IUPAC name of bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 161363753) is bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is C=C1C(C(C)C)CCN1C.CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)C1CC(=O)N(C)C1.CC(C)C1CCCCC1O.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)n1cccc1.CC1=CC=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccccc1C(C)C.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)n1C.
What is the InChIKey of bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is VPNPJIOWMSLVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3.2C10H13Cl.C10H11F3.C10H13F.2C10H17N.C10H16O.C10H16S.3C10H14.C9H10F3N.C9H16N2.C9H17N.C9H13N.C9H18O.C9H14.C9H12.C8H14N2.C8H15NO.2C8H13N.3C8H11N.C8H12O.C8H12S.C8H12.3C7H10N2.2C7H11N.C7H10O.C7H10S/c1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-6-10(4)8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-4-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;1-6(2)7-4-8(10)9(3)5-7;1-6(2)8-4-7(3)9-5-8;1-7(2)9-5-4-8(3)6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7/h4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;3*4-8H,1-3H3;3-6H,1-2H3;5-7H,1-4H3,(H,10,11);7,9H,3,5-6H2,1-2,4H3;4-7H,1-3H3;7-10H,3-6H2,1-2H3;4-5,7H,6H2,1-3H3;3-8H,1-2H3;5-6H,1-4H3;6-7H,4-5H2,1-3H3;5-6H,4H2,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-5,7H,6H2,1-2H3;3*3-6H,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 4989.42 g/mol, XLogP of 97.44, 41 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylcyclohexan-1-ol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 161363753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).