[4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol

C57H68O — CID 129198936

About [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol

[4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol (PubChem CID 129198936) has the molecular formula C57H68O and a molecular weight of 769.17 g/mol. Its IUPAC name is [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol.

Molecular Properties

• Compound Name: [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol
• PubChem CID: 129198936
• Molecular Formula: C57H68O
• Molecular Weight: 769.17 g/mol
• Exact Mass: 768.53
• IUPAC Name: [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol
• SMILES: Cc1cc(C)c(C)c(-c2cc(C(C)(C)c3cc(-c4ccc(C(C)(C)C)cc4)c(C)c(-c4ccc(C(C)(C)C)cc4)c3)cc(-c3c(C)c(C)cc(C)c3C)c2CO)c1C
• InChI: InChI=1S/C57H68O/c1-33-26-34(2)38(6)53(37(33)5)50-30-47(31-51(52(50)32-58)54-39(7)35(3)27-36(4)40(54)8)57(16,17)46-28-48(42-18-22-44(23-19-42)55(10,11)12)41(9)49(29-46)43-20-24-45(25-21-43)56(13,14)15/h18-31,58H,32H2,1-17H3
• InChIKey: VBSBPKAEZFKCEJ-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.17
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol?

The IUPAC name of [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol (CID 129198936) is [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol.

What is the SMILES notation for [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol?

The canonical SMILES for [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol is Cc1cc(C)c(C)c(-c2cc(C(C)(C)c3cc(-c4ccc(C(C)(C)C)cc4)c(C)c(-c4ccc(C(C)(C)C)cc4)c3)cc(-c3c(C)c(C)cc(C)c3C)c2CO)c1C.

What is the InChIKey of [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol?

The InChIKey is VBSBPKAEZFKCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H68O/c1-33-26-34(2)38(6)53(37(33)5)50-30-47(31-51(52(50)32-58)54-39(7)35(3)27-36(4)40(54)8)57(16,17)46-28-48(42-18-22-44(23-19-42)55(10,11)12)41(9)49(29-46)43-20-24-45(25-21-43)56(13,14)15/h18-31,58H,32H2,1-17H3.

What are the key properties of [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol?

[4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol has a molecular weight of 769.17 g/mol, XLogP of 15.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol is sourced from PubChem (CID 129198936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).