5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene

C52H58 — CID 123777850

About 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene

5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene (PubChem CID 123777850) has the molecular formula C52H58 and a molecular weight of 683.04 g/mol. Its IUPAC name is 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene.

Molecular Properties

• Compound Name: 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene
• PubChem CID: 123777850
• Molecular Formula: C52H58
• Molecular Weight: 683.04 g/mol
• Exact Mass: 682.45
• IUPAC Name: 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene
• SMILES: Cc1ccc(C(c2ccc(-c3ccc(C(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1
• InChI: InChI=1S/C52H58/c1-33-13-17-41(18-14-33)49(47-35(3)29-45(30-36(47)4)51(7,8)9)43-25-21-39(22-26-43)40-23-27-44(28-24-40)50(42-19-15-34(2)16-20-42)48-37(5)31-46(32-38(48)6)52(10,11)12/h13-32,49-50H,1-12H3
• InChIKey: CPWVNBPITFGRCB-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.04
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene?

The IUPAC name of 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene (CID 123777850) is 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene.

What is the SMILES notation for 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene?

The canonical SMILES for 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene is Cc1ccc(C(c2ccc(-c3ccc(C(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.

What is the InChIKey of 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene?

The InChIKey is CPWVNBPITFGRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H58/c1-33-13-17-41(18-14-33)49(47-35(3)29-45(30-36(47)4)51(7,8)9)43-25-21-39(22-26-43)40-23-27-44(28-24-40)50(42-19-15-34(2)16-20-42)48-37(5)31-46(32-38(48)6)52(10,11)12/h13-32,49-50H,1-12H3.

What are the key properties of 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene?

5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene has a molecular weight of 683.04 g/mol, XLogP of 14.16, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene is sourced from PubChem (CID 123777850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).