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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane

C187H304N6O6S4 — CID 162079155

About 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane

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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane (PubChem CID 162079155) has the molecular formula C187H304N6O6S4 and a molecular weight of 2860.79 g/mol. Its IUPAC name is 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane.

Molecular Properties

• Compound Name: 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane
• PubChem CID: 162079155
• Molecular Formula: C187H304N6O6S4
• Molecular Weight: 2860.79 g/mol
• Exact Mass: 2858.26
• IUPAC Name: 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane
• SMILES: C.C.C.C.C.C.C.C.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)c1ccc([N+](=O)[O-])cc1.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)o1.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.3C11H16.C10H13NO2.C10H17N.2C10H14.3C9H14O.3C9H14S.2C9H14.C8H12O.C7H12N2.C7H11NS.8CH4/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;3*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12)13;1-8-6-7-11(5)9(8)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;3*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)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;;;;;;;;/h6-9H,1-5H3;3*5-8H,1-4H3;4-7H,1-3H3;6-7H,1-5H3;2*4-8H,1-3H3;6*5-6H,1-4H3;2*4,6-7H,5H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;8*1H4
• InChIKey: ZCCHTTROJMQWLF-UHFFFAOYSA-N
• XLogP: 60.79
• TPSA: 145.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 2
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2860.79
LogP ≤ 5	60.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane?

The IUPAC name of 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane (CID 162079155) is 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane.

What is the SMILES notation for 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane?

The canonical SMILES for 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane is C.C.C.C.C.C.C.C.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)c1ccc([N+](=O)[O-])cc1.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)o1.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 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane?

The InChIKey is ZCCHTTROJMQWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.3C11H16.C10H13NO2.C10H17N.2C10H14.3C9H14O.3C9H14S.2C9H14.C8H12O.C7H12N2.C7H11NS.8CH4/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;3*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12)13;1-8-6-7-11(5)9(8)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;3*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)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;;;;;;;;/h6-9H,1-5H3;3*5-8H,1-4H3;4-7H,1-3H3;6-7H,1-5H3;2*4-8H,1-3H3;6*5-6H,1-4H3;2*4,6-7H,5H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;8*1H4.

What are the key properties of 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane?

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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane has a molecular weight of 2860.79 g/mol, XLogP of 60.79, 2 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane is sourced from PubChem (CID 162079155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).