1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane

C93H151N11S2 — CID 167613412

IUPAC1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane
SMILESC.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/C12H18.2C11H17N.3C10H16N2.C10H16S.C9H16N2.C9H15NS.CH4/c1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;/h5-10H,1-4H3;2*5-9H,1-4H3;3*5-8H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;1H4
InChIKeyLJPISEJKJUKZGT-UHFFFAOYSA-N
MW1487.44 g/mol
LogP29.37
Rot. Bonds18

About 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane

1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane (PubChem CID 167613412) has the molecular formula C93H151N11S2 and a molecular weight of 1487.44 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane
PubChem CID167613412
Molecular FormulaC93H151N11S2
Molecular Weight1487.44 g/mol
Exact Mass1486.16
IUPAC Name1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane
SMILESC.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/C12H18.2C11H17N.3C10H16N2.C10H16S.C9H16N2.C9H15NS.CH4/c1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;/h5-10H,1-4H3;2*5-9H,1-4H3;3*5-8H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;1H4
InChIKeyLJPISEJKJUKZGT-UHFFFAOYSA-N
XLogP29.37
TPSA133.83 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001487.44
LogP ≤ 529.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane with MolForge

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Related Compounds

1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);ethane
CID 158024668
1,4-di(propan-2-yl)benzene;bis(2,5-di(propan-2-yl)pyrazine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);methane
CID 158648639
1-tert-butyl-4-propan-2-ylbenzene;2,5-ditert-butylpyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;bis(2,5-di(propan-2-yl)pyrimidine);methane
CID 159588138
1-tert-butyl-4-propan-2-ylbenzene;2,5-ditert-butylpyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;bis(2,5-di(propan-2-yl)pyrimidine)
CID 158824456
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole
CID 162065002
1-but-3-yn-2-yl-4-propan-2-ylpyrazole
CID 88570782
5-propan-2-yl-2-[5-(4-propan-2-ylphenyl)hexan-2-yl]-1,3-thiazole
CID 155415812
1-(1-propan-2-ylpyrazol-4-yl)ethanethiol
CID 126561609
ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile
CID 168929154
bis(1-fluoro-4-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;methane
CID 158662647
2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;bis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)pyridazine;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole
CID 164979370
2,4-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;methane
CID 161353337

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane?
The IUPAC name of 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane (CID 167613412) is 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane.
What is the SMILES notation for 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane?
The canonical SMILES for 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane is C.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.
What is the InChIKey of 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane?
The InChIKey is LJPISEJKJUKZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.2C11H17N.3C10H16N2.C10H16S.C9H16N2.C9H15NS.CH4/c1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;/h5-10H,1-4H3;2*5-9H,1-4H3;3*5-8H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;1H4.
What are the key properties of 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane?
1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane has a molecular weight of 1487.44 g/mol, XLogP of 29.37, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane is sourced from PubChem (CID 167613412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).