2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole

C144H172ClF2N17S — CID 160576256

IUPAC2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole
SMILESCC(C)(C)c1c(F)cccc1-n1nccn1.CC(C)(C)c1cc(Cl)ccc1-c1ncccn1.CC(C)(C)c1cc(F)ccc1-n1nccn1.Cc1ccc(-c2ccccc2)c(C(C)(C)C)c1.Cc1ccc(-c2ccccn2)c(C(C)(C)C)c1.Cc1ccc(-c2cccnc2)c(C(C)(C)C)c1.Cc1ccc(-c2ccncc2)c(C(C)(C)C)c1.Cc1ccc(-n2cccn2)c(C(C)(C)C)c1.Cc1ccc(-n2nccn2)c(C(C)(C)C)c1.Cc1nc(C(C)(C)C)c(-c2ccccc2)s1
InChIInChI=1S/C17H20.3C16H19N.C14H15ClN2.C14H18N2.C14H17NS.C13H17N3.2C12H14FN3/c1-13-10-11-15(14-8-6-5-7-9-14)16(12-13)17(2,3)4;1-12-5-6-14(13-7-9-17-10-8-13)15(11-12)16(2,3)4;1-12-7-8-14(13-6-5-9-17-11-13)15(10-12)16(2,3)4;1-12-8-9-13(14(11-12)16(2,3)4)15-7-5-6-10-17-15;1-14(2,3)12-9-10(15)5-6-11(12)13-16-7-4-8-17-13;1-11-6-7-13(16-9-5-8-15-16)12(10-11)14(2,3)4;1-10-15-13(14(2,3)4)12(16-10)11-8-6-5-7-9-11;1-10-5-6-12(16-14-7-8-15-16)11(9-10)13(2,3)4;1-12(2,3)10-8-9(13)4-5-11(10)16-14-6-7-15-16;1-12(2,3)11-9(13)5-4-6-10(11)16-14-7-8-15-16/h5-12H,1-4H3;3*5-11H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;2*5-9H,1-4H3;2*4-8H,1-3H3
InChIKeyRBENYADHQSTCKG-UHFFFAOYSA-N
MW2246.59 g/mol
LogP38.29
Rot. Bonds10

About 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole

2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole (PubChem CID 160576256) has the molecular formula C144H172ClF2N17S and a molecular weight of 2246.59 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole.

Molecular Properties

Compound Name2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole
PubChem CID160576256
Molecular FormulaC144H172ClF2N17S
Molecular Weight2246.59 g/mol
Exact Mass2244.34
IUPAC Name2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole
SMILESCC(C)(C)c1c(F)cccc1-n1nccn1.CC(C)(C)c1cc(Cl)ccc1-c1ncccn1.CC(C)(C)c1cc(F)ccc1-n1nccn1.Cc1ccc(-c2ccccc2)c(C(C)(C)C)c1.Cc1ccc(-c2ccccn2)c(C(C)(C)C)c1.Cc1ccc(-c2cccnc2)c(C(C)(C)C)c1.Cc1ccc(-c2ccncc2)c(C(C)(C)C)c1.Cc1ccc(-n2cccn2)c(C(C)(C)C)c1.Cc1ccc(-n2nccn2)c(C(C)(C)C)c1.Cc1nc(C(C)(C)C)c(-c2ccccc2)s1
InChIInChI=1S/C17H20.3C16H19N.C14H15ClN2.C14H18N2.C14H17NS.C13H17N3.2C12H14FN3/c1-13-10-11-15(14-8-6-5-7-9-14)16(12-13)17(2,3)4;1-12-5-6-14(13-7-9-17-10-8-13)15(11-12)16(2,3)4;1-12-7-8-14(13-6-5-9-17-11-13)15(10-12)16(2,3)4;1-12-8-9-13(14(11-12)16(2,3)4)15-7-5-6-10-17-15;1-14(2,3)12-9-10(15)5-6-11(12)13-16-7-4-8-17-13;1-11-6-7-13(16-9-5-8-15-16)12(10-11)14(2,3)4;1-10-15-13(14(2,3)4)12(16-10)11-8-6-5-7-9-11;1-10-5-6-12(16-14-7-8-15-16)11(9-10)13(2,3)4;1-12(2,3)10-8-9(13)4-5-11(10)16-14-6-7-15-16;1-12(2,3)11-9(13)5-4-6-10(11)16-14-7-8-15-16/h5-12H,1-4H3;3*5-11H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;2*5-9H,1-4H3;2*4-8H,1-3H3
InChIKeyRBENYADHQSTCKG-UHFFFAOYSA-N
XLogP38.29
TPSA187.29 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002246.59
LogP ≤ 538.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole with MolForge

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Related Compounds

2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;methane;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 157113750
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 157793600
2-Chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 157443238
1-(2-Tert-butyl-4-chlorophenyl)triazole;2-(2-tert-butyl-4-chlorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-(2-tert-butyl-5-fluorophenyl)triazole;1-tert-butyl-3-methylbenzene;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-3-methylphenyl)triazole;2-(2-tert-butyl-4-methylphenyl)triazole;methane
CID 159362845
2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160948203
4-Chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole)
CID 167710083

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole?
The IUPAC name of 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole (CID 160576256) is 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole.
What is the SMILES notation for 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole?
The canonical SMILES for 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole is CC(C)(C)c1c(F)cccc1-n1nccn1.CC(C)(C)c1cc(Cl)ccc1-c1ncccn1.CC(C)(C)c1cc(F)ccc1-n1nccn1.Cc1ccc(-c2ccccc2)c(C(C)(C)C)c1.Cc1ccc(-c2ccccn2)c(C(C)(C)C)c1.Cc1ccc(-c2cccnc2)c(C(C)(C)C)c1.Cc1ccc(-c2ccncc2)c(C(C)(C)C)c1.Cc1ccc(-n2cccn2)c(C(C)(C)C)c1.Cc1ccc(-n2nccn2)c(C(C)(C)C)c1.Cc1nc(C(C)(C)C)c(-c2ccccc2)s1.
What is the InChIKey of 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole?
The InChIKey is RBENYADHQSTCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.3C16H19N.C14H15ClN2.C14H18N2.C14H17NS.C13H17N3.2C12H14FN3/c1-13-10-11-15(14-8-6-5-7-9-14)16(12-13)17(2,3)4;1-12-5-6-14(13-7-9-17-10-8-13)15(11-12)16(2,3)4;1-12-7-8-14(13-6-5-9-17-11-13)15(10-12)16(2,3)4;1-12-8-9-13(14(11-12)16(2,3)4)15-7-5-6-10-17-15;1-14(2,3)12-9-10(15)5-6-11(12)13-16-7-4-8-17-13;1-11-6-7-13(16-9-5-8-15-16)12(10-11)14(2,3)4;1-10-15-13(14(2,3)4)12(16-10)11-8-6-5-7-9-11;1-10-5-6-12(16-14-7-8-15-16)11(9-10)13(2,3)4;1-12(2,3)10-8-9(13)4-5-11(10)16-14-6-7-15-16;1-12(2,3)11-9(13)5-4-6-10(11)16-14-7-8-15-16/h5-12H,1-4H3;3*5-11H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;2*5-9H,1-4H3;2*4-8H,1-3H3.
What are the key properties of 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole?
2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole has a molecular weight of 2246.59 g/mol, XLogP of 38.29, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-chlorophenyl)pyrimidine;2-(2-tert-butyl-3-fluorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-4-methylphenyl)triazole is sourced from PubChem (CID 160576256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).