1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine

C102H119ClF3N5 — CID 159219995

IUPAC1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine
SMILESCC(C)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cncnc2)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.Cc1cc(-c2ccc(C(C)C)cc2)ccn1
InChIInChI=1S/C16H14ClF3.C15H17N.C15H22.C15H16.C14H15N.C14H21N.C13H14N2/c1-10(2)11-3-5-12(6-4-11)13-7-8-15(17)14(9-13)16(18,19)20;1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;2*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-3-5-12(6-4-11)13-7-14-9-15-8-13/h3-10H,1-2H3;4-11H,1-3H3;8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;3-11H,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;3-10H,1-2H3
InChIKeyKROFWEUAOVLTFM-UHFFFAOYSA-N
MW1507.56 g/mol
LogP30.60
Rot. Bonds14

About 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine

1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine (PubChem CID 159219995) has the molecular formula C102H119ClF3N5 and a molecular weight of 1507.56 g/mol. Its IUPAC name is 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine
PubChem CID159219995
Molecular FormulaC102H119ClF3N5
Molecular Weight1507.56 g/mol
Exact Mass1505.91
IUPAC Name1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine
SMILESCC(C)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cncnc2)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.Cc1cc(-c2ccc(C(C)C)cc2)ccn1
InChIInChI=1S/C16H14ClF3.C15H17N.C15H22.C15H16.C14H15N.C14H21N.C13H14N2/c1-10(2)11-3-5-12(6-4-11)13-7-8-15(17)14(9-13)16(18,19)20;1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;2*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-3-5-12(6-4-11)13-7-14-9-15-8-13/h3-10H,1-2H3;4-11H,1-3H3;8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;3-11H,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;3-10H,1-2H3
InChIKeyKROFWEUAOVLTFM-UHFFFAOYSA-N
XLogP30.60
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001507.56
LogP ≤ 530.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine with MolForge

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Related Compounds

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6-[bis(4-chlorophenyl)methyl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
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6-[bis(4-chlorophenyl)methyl]-N-[[5-(trifluoromethyl)pyridin-3-yl]methyl]quinazolin-4-amine
CID 118916235
4-(4-Chlorophenyl)-2-(4-phenylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine
CID 44399536
2-(4-Benzylpiperazin-1-yl)-4-(4-chlorophenyl)-6-pyridin-4-ylpyrimidine
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N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6-(5-methylpyridin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
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4-Chloro-2-(2-phenylethyl)-6-(4-pyridyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine
CID 22346623
4-[4-(4-Chloro-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-[2,4']bipyridinyl
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2-Chloro-3-(2-chloro-6-fluorophenyl)-4-(4-methylpiperidinyl)-6-(pyrimidin-2-yl)pyridine
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4-(4-Chloro-3-methylphenyl)-2-(2-chloro-pyridin-4-yl)-6-trifluoromethyl-pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine?
The IUPAC name of 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine (CID 159219995) is 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine.
What is the SMILES notation for 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine?
The canonical SMILES for 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine is CC(C)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cncnc2)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.Cc1cc(-c2ccc(C(C)C)cc2)ccn1.
What is the InChIKey of 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine?
The InChIKey is KROFWEUAOVLTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3.C15H17N.C15H22.C15H16.C14H15N.C14H21N.C13H14N2/c1-10(2)11-3-5-12(6-4-11)13-7-8-15(17)14(9-13)16(18,19)20;1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;2*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-3-5-12(6-4-11)13-7-14-9-15-8-13/h3-10H,1-2H3;4-11H,1-3H3;8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;3-11H,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;3-10H,1-2H3.
What are the key properties of 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine?
1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine has a molecular weight of 1507.56 g/mol, XLogP of 30.60, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine is sourced from PubChem (CID 159219995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).