bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine

C221H324N22O6S3 — CID 159090628

About bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine

bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine (PubChem CID 159090628) has the molecular formula C221H324N22O6S3 and a molecular weight of 3481.37 g/mol. Its IUPAC name is bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine
• PubChem CID: 159090628
• Molecular Formula: C221H324N22O6S3
• Molecular Weight: 3481.37 g/mol
• Exact Mass: 3478.49
• IUPAC Name: bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine
• SMILES: C=C(C)c1ccc(C(C)(C)C)cc1.CC(=O)c1sccc1C(C)(C)C.CC(C)(C)c1cc(C(=O)O)c2cn[nH]c2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1cscn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)c1cncnc1.CC(O)c1ccc(C(C)(C)C)cn1.CCC#Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1O.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)c1
• InChI: InChI=1S/C13H17N.C13H18.C12H14N2O2.C11H17NO.C11H16O.C11H16.C10H13N3.4C10H15N.C10H14OS.2C10H14.2C9H15N.C9H13N.C8H12O.C8H12S.C7H10N2.C7H12N2.C7H11NS.C6H11N3/c1-5-6-7-12-9-8-11(10-14-12)13(2,3)4;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-12(2,3)7-4-8(11(15)16)9-6-13-14-10(9)5-7;1-8(13)10-6-5-9(7-12-10)11(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;4*1-8-5-6-9(7-11-8)10(2,3)4;1-7(11)9-8(5-6-12-9)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-5-4-6-10-7-8;2*1-8(2,3)7-5-4-6-9-7;1-6(2)7-3-8-5-9-4-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-4-7-8-9/h8-10H,5H2,1-4H3;6-9H,1H2,2-5H3;4-6H,1-3H3,(H,13,14)(H,15,16);5-8,13H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4*5-7H,1-4H3;5-6H,1-4H3;2*4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3
• InChIKey: KCABFJFSDLASTL-UHFFFAOYSA-N
• XLogP: 59.79
• TPSA: 354.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 5
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3481.37
LogP ≤ 5	59.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine?

The IUPAC name of bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine (CID 159090628) is bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine.

What is the SMILES notation for bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine?

The canonical SMILES for bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine is C=C(C)c1ccc(C(C)(C)C)cc1.CC(=O)c1sccc1C(C)(C)C.CC(C)(C)c1cc(C(=O)O)c2cn[nH]c2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1cscn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)c1cncnc1.CC(O)c1ccc(C(C)(C)C)cn1.CCC#Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1O.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)c1.

What is the InChIKey of bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine?

The InChIKey is KCABFJFSDLASTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C13H18.C12H14N2O2.C11H17NO.C11H16O.C11H16.C10H13N3.4C10H15N.C10H14OS.2C10H14.2C9H15N.C9H13N.C8H12O.C8H12S.C7H10N2.C7H12N2.C7H11NS.C6H11N3/c1-5-6-7-12-9-8-11(10-14-12)13(2,3)4;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-12(2,3)7-4-8(11(15)16)9-6-13-14-10(9)5-7;1-8(13)10-6-5-9(7-12-10)11(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;4*1-8-5-6-9(7-11-8)10(2,3)4;1-7(11)9-8(5-6-12-9)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-5-4-6-10-7-8;2*1-8(2,3)7-5-4-6-9-7;1-6(2)7-3-8-5-9-4-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-4-7-8-9/h8-10H,5H2,1-4H3;6-9H,1H2,2-5H3;4-6H,1-3H3,(H,13,14)(H,15,16);5-8,13H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4*5-7H,1-4H3;5-6H,1-4H3;2*4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3.

What are the key properties of bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine?

bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine has a molecular weight of 3481.37 g/mol, XLogP of 59.79, 5 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine is sourced from PubChem (CID 159090628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).