2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol

C90H122N2O2 — CID 123144880

About 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol

2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol (PubChem CID 123144880) has the molecular formula C90H122N2O2 and a molecular weight of 1263.98 g/mol. Its IUPAC name is 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol.

Molecular Properties

• Compound Name: 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol
• PubChem CID: 123144880
• Molecular Formula: C90H122N2O2
• Molecular Weight: 1263.98 g/mol
• Exact Mass: 1262.95
• IUPAC Name: 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol
• SMILES: CC(C)CC(C)N(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccc(Cc2ccc(CC(C)CC(C)(C)C)cc2)cc1.CC(C)CC(C)N(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccc(Cc2ccc(Cc3ccc(Cc4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C48H59NO.C42H63NO/c1-34(2)27-35(3)49(33-42-31-43(47(4,5)6)32-45(46(42)50)48(7,8)9)44-25-23-41(24-26-44)30-40-21-19-39(20-22-40)29-38-17-15-37(16-18-38)28-36-13-11-10-12-14-36;1-29(2)22-31(4)43(28-35-25-36(41(8,9)10)26-38(39(35)44)42(11,12)13)37-20-18-34(19-21-37)24-33-16-14-32(15-17-33)23-30(3)27-40(5,6)7/h10-26,31-32,34-35,50H,27-30,33H2,1-9H3;14-21,25-26,29-31,44H,22-24,27-28H2,1-13H3
• InChIKey: NPBNUMZVNOITCO-UHFFFAOYSA-N
• XLogP: 23.83
• TPSA: 46.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 23
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1263.98
LogP ≤ 5	23.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol?

The IUPAC name of 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol (CID 123144880) is 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol.

What is the SMILES notation for 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol?

The canonical SMILES for 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol is CC(C)CC(C)N(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccc(Cc2ccc(CC(C)CC(C)(C)C)cc2)cc1.CC(C)CC(C)N(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccc(Cc2ccc(Cc3ccc(Cc4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol?

The InChIKey is NPBNUMZVNOITCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H59NO.C42H63NO/c1-34(2)27-35(3)49(33-42-31-43(47(4,5)6)32-45(46(42)50)48(7,8)9)44-25-23-41(24-26-44)30-40-21-19-39(20-22-40)29-38-17-15-37(16-18-38)28-36-13-11-10-12-14-36;1-29(2)22-31(4)43(28-35-25-36(41(8,9)10)26-38(39(35)44)42(11,12)13)37-20-18-34(19-21-37)24-33-16-14-32(15-17-33)23-30(3)27-40(5,6)7/h10-26,31-32,34-35,50H,27-30,33H2,1-9H3;14-21,25-26,29-31,44H,22-24,27-28H2,1-13H3.

What are the key properties of 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol?

2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol has a molecular weight of 1263.98 g/mol, XLogP of 23.83, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol is sourced from PubChem (CID 123144880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).