2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole

C179H272BrN5O4S4 — CID 163989501

About 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole

2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole (PubChem CID 163989501) has the molecular formula C179H272BrN5O4S4 and a molecular weight of 2766.35 g/mol. Its IUPAC name is 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole
• PubChem CID: 163989501
• Molecular Formula: C179H272BrN5O4S4
• Molecular Weight: 2766.35 g/mol
• Exact Mass: 2762.93
• IUPAC Name: 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole
• SMILES: CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)c1ccc(Br)o1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccco1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccs1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)(C)C)s1.Cc1ccn(C)c1C(C)(C)C.Cc1ccsc1C(C)(C)C
• InChI: InChI=1S/C12H19N.4C11H16.C10H17N.2C10H14.2C9H14O.3C9H14S.2C9H14.C8H11BrO.C8H12O.C7H12N2.C7H11NS/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;4*1-9-5-7-10(8-6-9)11(2,3)4;1-8-6-7-11(5)9(8)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;2*1-7-5-6-8(10-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;2*1-7-5-6-8(10-7)9(2,3)4;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6/h6-9H,1-5H3;4*5-8H,1-4H3;6-7H,1-5H3;2*4-8H,1-3H3;5*5-6H,1-4H3;2*4,6-7H,5H2,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
• InChIKey: TZIYLUPVWUOLAF-UHFFFAOYSA-N
• XLogP: 56.55
• TPSA: 102.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 1
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2766.35
LogP ≤ 5	56.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole?

The IUPAC name of 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole (CID 163989501) is 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole.

What is the SMILES notation for 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole?

The canonical SMILES for 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole is CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)c1ccc(Br)o1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccco1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccs1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)(C)C)s1.Cc1ccn(C)c1C(C)(C)C.Cc1ccsc1C(C)(C)C.

What is the InChIKey of 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole?

The InChIKey is TZIYLUPVWUOLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.4C11H16.C10H17N.2C10H14.2C9H14O.3C9H14S.2C9H14.C8H11BrO.C8H12O.C7H12N2.C7H11NS/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;4*1-9-5-7-10(8-6-9)11(2,3)4;1-8-6-7-11(5)9(8)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;2*1-7-5-6-8(10-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;2*1-7-5-6-8(10-7)9(2,3)4;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6/h6-9H,1-5H3;4*5-8H,1-4H3;6-7H,1-5H3;2*4-8H,1-3H3;5*5-6H,1-4H3;2*4,6-7H,5H2,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3.

What are the key properties of 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole?

2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole has a molecular weight of 2766.35 g/mol, XLogP of 56.55, 1 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 163989501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).