bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane)

C164H227F9 — CID 161310699

About bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane)

bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane) (PubChem CID 161310699) has the molecular formula C164H227F9 and a molecular weight of 2369.60 g/mol. Its IUPAC name is bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane).

Molecular Properties

• Compound Name: bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane)
• PubChem CID: 161310699
• Molecular Formula: C164H227F9
• Molecular Weight: 2369.60 g/mol
• Exact Mass: 2367.76
• IUPAC Name: bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane)
• SMILES: CC(C)(C)C(C)(C)C(F)(F)F.CC(C)(C)C(C)(C)C(F)(F)F.CC(C)(C)C(C)(C)C(F)(F)F.CC(C)(C)C(C)(C)Cc1ccccc1.CC(C)(C)C(C)(C)Cc1ccccc1.CC(C)(C)C(C)(Cc1ccccc1)Cc1ccccc1.CC(C)(C)C(C)(Cc1ccccc1)Cc1ccccc1.CC(C)(Cc1ccccc1)C(C)(C)Cc1ccccc1.CC(C)(Cc1ccccc1)C(C)(Cc1ccccc1)Cc1ccccc1.CC(C)(Cc1ccccc1)C(C)(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/2C26H30.3C20H26.2C14H22.3C8H15F3/c2*1-25(2,19-22-13-7-4-8-14-22)26(3,20-23-15-9-5-10-16-23)21-24-17-11-6-12-18-24;1-19(2,15-17-11-7-5-8-12-17)20(3,4)16-18-13-9-6-10-14-18;2*1-19(2,3)20(4,15-17-11-7-5-8-12-17)16-18-13-9-6-10-14-18;2*1-13(2,3)14(4,5)11-12-9-7-6-8-10-12;3*1-6(2,3)7(4,5)8(9,10)11/h2*4-18H,19-21H2,1-3H3;3*5-14H,15-16H2,1-4H3;2*6-10H,11H2,1-5H3;3*1-5H3
• InChIKey: VIVRZEUFNBPFOJ-UHFFFAOYSA-N
• XLogP: 49.53
• TPSA: 0.00 Ų
• Rotatable Bonds: 31
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2369.60
LogP ≤ 5	49.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane)?

The IUPAC name of bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane) (CID 161310699) is bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane).

What is the SMILES notation for bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane)?

The canonical SMILES for bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane) is CC(C)(C)C(C)(C)C(F)(F)F.CC(C)(C)C(C)(C)C(F)(F)F.CC(C)(C)C(C)(C)C(F)(F)F.CC(C)(C)C(C)(C)Cc1ccccc1.CC(C)(C)C(C)(C)Cc1ccccc1.CC(C)(C)C(C)(Cc1ccccc1)Cc1ccccc1.CC(C)(C)C(C)(Cc1ccccc1)Cc1ccccc1.CC(C)(Cc1ccccc1)C(C)(C)Cc1ccccc1.CC(C)(Cc1ccccc1)C(C)(Cc1ccccc1)Cc1ccccc1.CC(C)(Cc1ccccc1)C(C)(Cc1ccccc1)Cc1ccccc1.

What is the InChIKey of bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane)?

The InChIKey is VIVRZEUFNBPFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H30.3C20H26.2C14H22.3C8H15F3/c2*1-25(2,19-22-13-7-4-8-14-22)26(3,20-23-15-9-5-10-16-23)21-24-17-11-6-12-18-24;1-19(2,15-17-11-7-5-8-12-17)20(3,4)16-18-13-9-6-10-14-18;2*1-19(2,3)20(4,15-17-11-7-5-8-12-17)16-18-13-9-6-10-14-18;2*1-13(2,3)14(4,5)11-12-9-7-6-8-10-12;3*1-6(2,3)7(4,5)8(9,10)11/h2*4-18H,19-21H2,1-3H3;3*5-14H,15-16H2,1-4H3;2*6-10H,11H2,1-5H3;3*1-5H3.

What are the key properties of bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane)?

bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane) has a molecular weight of 2369.60 g/mol, XLogP of 49.53, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2-benzyl-2,3,3-trimethylbutyl)benzene);bis((2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene);bis(2,2,3,3-tetramethylbutylbenzene);(2,2,3,3-tetramethyl-4-phenylbutyl)benzene;tris(1,1,1-trifluoro-2,2,3,3-tetramethylbutane) is sourced from PubChem (CID 161310699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).