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

C57H68O — CID 129198934

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

[2,6-bis(4-tert-butylphenyl)-4-[2-[3-(4-tert-butylphenyl)-4-methyl-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]phenyl]methanol (PubChem CID 129198934) has the molecular formula C57H68O and a molecular weight of 769.17 g/mol. Its IUPAC name is [2,6-bis(4-tert-butylphenyl)-4-[2-[3-(4-tert-butylphenyl)-4-methyl-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]phenyl]methanol.

Molecular Properties

• Compound Name: [2,6-bis(4-tert-butylphenyl)-4-[2-[3-(4-tert-butylphenyl)-4-methyl-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]phenyl]methanol
• PubChem CID: 129198934
• Molecular Formula: C57H68O
• Molecular Weight: 769.17 g/mol
• Exact Mass: 768.53
• IUPAC Name: [2,6-bis(4-tert-butylphenyl)-4-[2-[3-(4-tert-butylphenyl)-4-methyl-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]phenyl]methanol
• SMILES: Cc1cc(C)c(C)c(-c2cc(C(C)(C)c3cc(-c4ccc(C(C)(C)C)cc4)c(CO)c(-c4ccc(C(C)(C)C)cc4)c3)cc(-c3ccc(C(C)(C)C)cc3)c2C)c1C
• InChI: InChI=1S/C57H68O/c1-35-29-36(2)38(4)53(37(35)3)49-31-46(30-48(39(49)5)40-17-23-43(24-18-40)54(6,7)8)57(15,16)47-32-50(41-19-25-44(26-20-41)55(9,10)11)52(34-58)51(33-47)42-21-27-45(28-22-42)56(12,13)14/h17-33,58H,34H2,1-16H3
• InChIKey: CIGZAELHLUPZBV-UHFFFAOYSA-N
• XLogP: 15.61
• 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	15.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of [2,6-bis(4-tert-butylphenyl)-4-[2-[3-(4-tert-butylphenyl)-4-methyl-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]phenyl]methanol (CID 129198934) is [2,6-bis(4-tert-butylphenyl)-4-[2-[3-(4-tert-butylphenyl)-4-methyl-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]phenyl]methanol.

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

The canonical SMILES for [2,6-bis(4-tert-butylphenyl)-4-[2-[3-(4-tert-butylphenyl)-4-methyl-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]phenyl]methanol is Cc1cc(C)c(C)c(-c2cc(C(C)(C)c3cc(-c4ccc(C(C)(C)C)cc4)c(CO)c(-c4ccc(C(C)(C)C)cc4)c3)cc(-c3ccc(C(C)(C)C)cc3)c2C)c1C.

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

The InChIKey is CIGZAELHLUPZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H68O/c1-35-29-36(2)38(4)53(37(35)3)49-31-46(30-48(39(49)5)40-17-23-43(24-18-40)54(6,7)8)57(15,16)47-32-50(41-19-25-44(26-20-41)55(9,10)11)52(34-58)51(33-47)42-21-27-45(28-22-42)56(12,13)14/h17-33,58H,34H2,1-16H3.

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

[2,6-bis(4-tert-butylphenyl)-4-[2-[3-(4-tert-butylphenyl)-4-methyl-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]phenyl]methanol has a molecular weight of 769.17 g/mol, XLogP of 15.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [2,6-bis(4-tert-butylphenyl)-4-[2-[3-(4-tert-butylphenyl)-4-methyl-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]phenyl]methanol is sourced from PubChem (CID 129198934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).