1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole

C208H362N20O3S — CID 158280895

About 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole

1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole (PubChem CID 158280895) has the molecular formula C208H362N20O3S and a molecular weight of 3223.39 g/mol. Its IUPAC name is 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole.

Molecular Properties

• Compound Name: 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole
• PubChem CID: 158280895
• Molecular Formula: C208H362N20O3S
• Molecular Weight: 3223.39 g/mol
• Exact Mass: 3220.85
• IUPAC Name: 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole
• SMILES: CC(C)(C)C1=C(C(C)(C)C)CNC=C1.CC(C)(C)C1=C(C(C)(C)C)COC=C1.CC(C)(C)C1=C(C(C)(C)C)NCC=C1.CC(C)(C)C1=C(C(C)(C)C)OCC=C1.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1n[nH]nc1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.Cn1ccc(C(C)(C)C)c1C(C)(C)C.Cn1cnc(C(C)(C)C)c1C(C)(C)C.Cn1ncc(C(C)(C)C)c1C(C)(C)C.Cn1nnc(C(C)(C)C)c1C(C)(C)C
• InChI: InChI=1S/C14H22.2C13H23N.C13H21N.C13H23N.C13H21N.2C13H22O.2C12H22N2.C12H21N.C12H20O.C12H20S.C11H21N3.2C11H20N2.C10H19N3/c1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-12(2,3)10-8-9-14(7)11(10)13(4,5)6;2*1-12(2,3)10-7-8-14-9-11(10)13(4,5)6;2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-12(2,3)10-7-8-14-9-11(10)13(4,5)6;1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-11(2,3)9-10(12(4,5)6)14(7)8-13-9;1-11(2,3)9-8-13-14(7)10(9)12(4,5)6;3*1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-10(2,3)8-9(11(4,5)6)14(7)13-12-8;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)8-7-12-13-9(8)11(4,5)6;1-9(2,3)7-8(10(4,5)6)12-13-11-7/h7-10H,1-6H3;8-9H,1-7H3;7-8,14H,9H2,1-6H3;7-9H,1-6H3;7-8,14H,9H2,1-6H3;7-9H,1-6H3;2*7-8H,9H2,1-6H3;2*8H,1-7H3;7-8,13H,1-6H3;2*7-8H,1-6H3;1-7H3;2*7H,1-6H3,(H,12,13);1-6H3,(H,11,12,13)
• InChIKey: GKERFQHLKZJNLH-UHFFFAOYSA-N
• XLogP: 58.75
• TPSA: 267.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3223.39
LogP ≤ 5	58.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole?

The IUPAC name of 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole (CID 158280895) is 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole.

What is the SMILES notation for 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole?

The canonical SMILES for 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole is CC(C)(C)C1=C(C(C)(C)C)CNC=C1.CC(C)(C)C1=C(C(C)(C)C)COC=C1.CC(C)(C)C1=C(C(C)(C)C)NCC=C1.CC(C)(C)C1=C(C(C)(C)C)OCC=C1.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1n[nH]nc1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.Cn1ccc(C(C)(C)C)c1C(C)(C)C.Cn1cnc(C(C)(C)C)c1C(C)(C)C.Cn1ncc(C(C)(C)C)c1C(C)(C)C.Cn1nnc(C(C)(C)C)c1C(C)(C)C.

What is the InChIKey of 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole?

The InChIKey is GKERFQHLKZJNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.2C13H23N.C13H21N.C13H23N.C13H21N.2C13H22O.2C12H22N2.C12H21N.C12H20O.C12H20S.C11H21N3.2C11H20N2.C10H19N3/c1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-12(2,3)10-8-9-14(7)11(10)13(4,5)6;2*1-12(2,3)10-7-8-14-9-11(10)13(4,5)6;2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-12(2,3)10-7-8-14-9-11(10)13(4,5)6;1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-11(2,3)9-10(12(4,5)6)14(7)8-13-9;1-11(2,3)9-8-13-14(7)10(9)12(4,5)6;3*1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-10(2,3)8-9(11(4,5)6)14(7)13-12-8;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)8-7-12-13-9(8)11(4,5)6;1-9(2,3)7-8(10(4,5)6)12-13-11-7/h7-10H,1-6H3;8-9H,1-7H3;7-8,14H,9H2,1-6H3;7-9H,1-6H3;7-8,14H,9H2,1-6H3;7-9H,1-6H3;2*7-8H,9H2,1-6H3;2*8H,1-7H3;7-8,13H,1-6H3;2*7-8H,1-6H3;1-7H3;2*7H,1-6H3,(H,12,13);1-6H3,(H,11,12,13).

What are the key properties of 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole?

1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole has a molecular weight of 3223.39 g/mol, XLogP of 58.75, 0 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-ditert-butylbenzene;3,4-ditert-butyl-1,2-dihydropyridine;5,6-ditert-butyl-1,2-dihydropyridine;2,3-ditert-butylfuran;4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1-methylpyrazole;2,3-ditert-butyl-1-methylpyrrole;4,5-ditert-butyl-1-methyltriazole;3,4-ditert-butyl-2H-pyran;5,6-ditert-butyl-2H-pyran;4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;2,3-ditert-butyl-1H-pyrrole;2,3-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole is sourced from PubChem (CID 158280895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).