1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene

C150H243N19S4 — CID 157142389

IUPAC1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
SMILESCC(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)c1cccc(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1nccn1C(C)C
InChIInChI=1S/2C12H18.2C11H17N.4C10H16N2.C10H16S.3C9H16N2.3C9H15NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;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;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-10H,1-4H3;2*5-9H,1-4H3;4*5-8H,1-4H3;4*5-8H,1-4H3;3*5-7H,1-4H3
InChIKeyAKIIBHVTKTYIAL-UHFFFAOYSA-N
MW2440.99 g/mol
LogP47.34
Rot. Bonds30

About 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene

1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene (PubChem CID 157142389) has the molecular formula C150H243N19S4 and a molecular weight of 2440.99 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
PubChem CID157142389
Molecular FormulaC150H243N19S4
Molecular Weight2440.99 g/mol
Exact Mass2438.85
IUPAC Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
SMILESCC(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)c1cccc(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1nccn1C(C)C
InChIInChI=1S/2C12H18.2C11H17N.4C10H16N2.C10H16S.3C9H16N2.3C9H15NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;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;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-10H,1-4H3;2*5-9H,1-4H3;4*5-8H,1-4H3;4*5-8H,1-4H3;3*5-7H,1-4H3
InChIKeyAKIIBHVTKTYIAL-UHFFFAOYSA-N
XLogP47.34
TPSA221.03 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002440.99
LogP ≤ 547.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene?
The IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene (CID 157142389) is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene is 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)c1cccc(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1nccn1C(C)C.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene?
The InChIKey is AKIIBHVTKTYIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18.2C11H17N.4C10H16N2.C10H16S.3C9H16N2.3C9H15NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;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;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-10H,1-4H3;2*5-9H,1-4H3;4*5-8H,1-4H3;4*5-8H,1-4H3;3*5-7H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene?
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene has a molecular weight of 2440.99 g/mol, XLogP of 47.34, 30 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;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);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 157142389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).