1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole)

C137H225N11S4 — CID 161384393

About 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole)

1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole) (PubChem CID 161384393) has the molecular formula C137H225N11S4 and a molecular weight of 2154.65 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole).

Molecular Properties

• Compound Name: 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole)
• PubChem CID: 161384393
• Molecular Formula: C137H225N11S4
• Molecular Weight: 2154.65 g/mol
• Exact Mass: 2152.68
• IUPAC Name: 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole)
• SMILES: CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccccc1C(C)C.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1
• InChI: InChI=1S/4C12H18.3C11H19N.2C10H18N2.4C9H15NS/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;3*1-8(2)10-6-11(9(3)4)12(5)7-10;2*1-7(2)9-6-12(5)10(11-9)8(3)4;2*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/h4*5-10H,1-4H3;3*6-9H,1-5H3;2*6-8H,1-5H3;4*5-7H,1-4H3
• InChIKey: VSDICJXKHSIYSM-UHFFFAOYSA-N
• XLogP: 44.44
• TPSA: 101.99 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2154.65
LogP ≤ 5	44.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole)?

The IUPAC name of 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole) (CID 161384393) is 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole).

What is the SMILES notation for 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole)?

The canonical SMILES for 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole) is CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccccc1C(C)C.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.

What is the InChIKey of 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole)?

The InChIKey is VSDICJXKHSIYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H18.3C11H19N.2C10H18N2.4C9H15NS/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;3*1-8(2)10-6-11(9(3)4)12(5)7-10;2*1-7(2)9-6-12(5)10(11-9)8(3)4;2*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/h4*5-10H,1-4H3;3*6-9H,1-5H3;2*6-8H,1-5H3;4*5-7H,1-4H3.

What are the key properties of 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole)?

1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole) has a molecular weight of 2154.65 g/mol, XLogP of 44.44, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole) is sourced from PubChem (CID 161384393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).