2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene

C192H253Cl2F9N12 — CID 157272464

IUPAC2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene
SMILESCC(C)(C)N1CCc2c([nH]c3ccccc23)C1.CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)c1.CC(C)(C)c1cccc(C2=CCN=C2)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)=C(F)C(C)(C)C.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)c(-c2cccc(C(C)(C)C)n2)c(Cl)c1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(F)c(C(C)(C)C)n1.Cc1cccc(-c2cccc(C(C)(C)C)c2F)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1-c1cccc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/C17H17F3.C17H19F.C16H15ClF2.C16H17ClFN.C16H19N.C15H20N2.C13H16N2.C12H17N.C12H24.C10H14FN.4C10H15N.C8H15F/c1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-12-7-5-8-13(11-12)14-9-6-10-15(16(14)18)17(2,3)4;1-16(2,3)11-6-4-5-10(7-11)15-13(17)8-12(18)9-14(15)19;1-10-8-11(17)15(12(18)9-10)13-6-5-7-14(19-13)16(2,3)4;1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)16(2,3)4;1-15(2,3)17-9-8-12-11-6-4-5-7-13(11)16-14(12)10-17;1-13(2,3)12-6-4-5-11(15-12)10-7-8-14-9-10;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-11(2,3)10-7-6-8-12(4,5)9-10;1-7-5-6-8(11)9(12-7)10(2,3)4;1-8-5-9(7-11-6-8)10(2,3)4;3*1-8-6-5-7-9(11-8)10(2,3)4;1-6(2)7(9)8(3,4)5/h5-9H,1-4H3;5-11H,1-4H3;4-9H,1-3H3;5-9H,1-4H3;5-11H,1-4H3;4-7,16H,8-10H2,1-3H3;4-7,9H,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;5-6H,1-4H3;4*5-7H,1-4H3;1-5H3
InChIKeyAYRWOVLYJILMTA-UHFFFAOYSA-N
MW2971.11 g/mol
LogP56.11
Rot. Bonds7

About 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene

2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene (PubChem CID 157272464) has the molecular formula C192H253Cl2F9N12 and a molecular weight of 2971.11 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene.

Molecular Properties

Compound Name2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene
PubChem CID157272464
Molecular FormulaC192H253Cl2F9N12
Molecular Weight2971.11 g/mol
Exact Mass2967.94
IUPAC Name2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene
SMILESCC(C)(C)N1CCc2c([nH]c3ccccc23)C1.CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)c1.CC(C)(C)c1cccc(C2=CCN=C2)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)=C(F)C(C)(C)C.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)c(-c2cccc(C(C)(C)C)n2)c(Cl)c1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(F)c(C(C)(C)C)n1.Cc1cccc(-c2cccc(C(C)(C)C)c2F)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1-c1cccc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/C17H17F3.C17H19F.C16H15ClF2.C16H17ClFN.C16H19N.C15H20N2.C13H16N2.C12H17N.C12H24.C10H14FN.4C10H15N.C8H15F/c1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-12-7-5-8-13(11-12)14-9-6-10-15(16(14)18)17(2,3)4;1-16(2,3)11-6-4-5-10(7-11)15-13(17)8-12(18)9-14(15)19;1-10-8-11(17)15(12(18)9-10)13-6-5-7-14(19-13)16(2,3)4;1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)16(2,3)4;1-15(2,3)17-9-8-12-11-6-4-5-7-13(11)16-14(12)10-17;1-13(2,3)12-6-4-5-11(15-12)10-7-8-14-9-10;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-11(2,3)10-7-6-8-12(4,5)9-10;1-7-5-6-8(11)9(12-7)10(2,3)4;1-8-5-9(7-11-6-8)10(2,3)4;3*1-8-6-5-7-9(11-8)10(2,3)4;1-6(2)7(9)8(3,4)5/h5-9H,1-4H3;5-11H,1-4H3;4-9H,1-3H3;5-9H,1-4H3;5-11H,1-4H3;4-7,16H,8-10H2,1-3H3;4-7,9H,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;5-6H,1-4H3;4*5-7H,1-4H3;1-5H3
InChIKeyAYRWOVLYJILMTA-UHFFFAOYSA-N
XLogP56.11
TPSA147.40 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002971.11
LogP ≤ 556.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene with MolForge

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Related Compounds

1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine;2,4-dimethyl-5-propan-2-ylpyridin-3-amine;N,4-dimethyl-5-propan-2-ylpyridin-3-amine;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-N-methylmethanamine;1-(4-fluoro-2-methyl-3-propan-2-ylphenyl)-N-methylmethanamine;1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-N-methylmethanamine;N-methyl-1-(2-methyl-3-propan-2-ylphenyl)methanamine;2-methyl-3-propan-2-ylaniline;1-methyl-2-propan-2-ylbenzene;(2-methyl-3-propan-2-ylphenyl)methanamine;4-methyl-5-propan-2-yl-N-prop-1-en-2-ylpyridin-3-amine;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridin-3-amine
CID 157214505
1-tert-butyl-4-(2-chlorophenyl)benzene;1-tert-butyl-4-[3-(1,1-difluoroethyl)phenyl]benzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-(4-ethylphenyl)benzene;1-tert-butyl-4-(2-fluorophenyl)benzene;2-(4-tert-butylphenyl)-1,3-difluorobenzene;4-(4-tert-butylphenyl)-2-methylpyridine;5-(4-tert-butylphenyl)-2-methylpyridine;3-ethyl-2,3-dihydro-1H-indole;1-ethyl-4-phenylbenzene;1-ethyl-4-[(E)-2-phenylethenyl]benzene;propylbenzene;toluene
CID 158753938
3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene
CID 157159911
1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;methane;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;4-(2-methylpropyl)aniline;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,4,5-tetrafluoro-3-methyl-6-(2-methylpropyl)benzene
CID 157253744
1-Tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene
CID 157305105
3-bromo-5-tert-butylpyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-6-fluoropyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 157428134
3-[1-(3-chlorophenyl)-2-pyridin-2-ylethyl]-2-methyl-1H-indole;3-[1-(3-fluorophenyl)-2-pyridin-2-ylethyl]-2-methyl-1H-indole;3-[1-(4-fluorophenyl)-2-pyridin-2-ylethyl]-2-methyl-1H-indole;2-methyl-3-[1-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]-1H-indole
CID 157907348
2-Tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(4,5-difluoro-2-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-(2-methylphenyl)pyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene
CID 157930446
2-(5-chloro-7-methyl-1H-indol-3-yl)quinoline;2-(5,6-difluoro-3H-inden-1-yl)-6-methylquinoline;bis(2-(5,7-dimethyl-1H-indol-3-yl)quinoline);bis(2-(4-fluoro-5-methyl-3H-inden-1-yl)quinoline);2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;bis(2-(7-methyl-1H-indol-3-yl)quinoline);dihydrochloride
CID 157972957
3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indole;3-tert-butyl-1H-indole;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine
CID 158592722
3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline
CID 158607490
3-Bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 159358442

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene?
The IUPAC name of 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene (CID 157272464) is 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene.
What is the SMILES notation for 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene?
The canonical SMILES for 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene is CC(C)(C)N1CCc2c([nH]c3ccccc23)C1.CC(C)(C)c1cccc(-c2c(F)cc(F)cc2Cl)c1.CC(C)(C)c1cccc(C2=CCN=C2)n1.CC(C)(C)c1cccc(C2CC2)n1.CC(C)=C(F)C(C)(C)C.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)c(-c2cccc(C(C)(C)C)n2)c(Cl)c1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(F)c(C(C)(C)C)n1.Cc1cccc(-c2cccc(C(C)(C)C)c2F)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1-c1cccc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene?
The InChIKey is AYRWOVLYJILMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3.C17H19F.C16H15ClF2.C16H17ClFN.C16H19N.C15H20N2.C13H16N2.C12H17N.C12H24.C10H14FN.4C10H15N.C8H15F/c1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-12-7-5-8-13(11-12)14-9-6-10-15(16(14)18)17(2,3)4;1-16(2,3)11-6-4-5-10(7-11)15-13(17)8-12(18)9-14(15)19;1-10-8-11(17)15(12(18)9-10)13-6-5-7-14(19-13)16(2,3)4;1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)16(2,3)4;1-15(2,3)17-9-8-12-11-6-4-5-7-13(11)16-14(12)10-17;1-13(2,3)12-6-4-5-11(15-12)10-7-8-14-9-10;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-11(2,3)10-7-6-8-12(4,5)9-10;1-7-5-6-8(11)9(12-7)10(2,3)4;1-8-5-9(7-11-6-8)10(2,3)4;3*1-8-6-5-7-9(11-8)10(2,3)4;1-6(2)7(9)8(3,4)5/h5-9H,1-4H3;5-11H,1-4H3;4-9H,1-3H3;5-9H,1-4H3;5-11H,1-4H3;4-7,16H,8-10H2,1-3H3;4-7,9H,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;5-6H,1-4H3;4*5-7H,1-4H3;1-5H3.
What are the key properties of 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene?
2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene has a molecular weight of 2971.11 g/mol, XLogP of 56.11, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene is sourced from PubChem (CID 157272464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).