N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine

C64H54N4 — CID 177074332

About N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 177074332) has the molecular formula C64H54N4 and a molecular weight of 879.16 g/mol. Its IUPAC name is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine
• PubChem CID: 177074332
• Molecular Formula: C64H54N4
• Molecular Weight: 879.16 g/mol
• Exact Mass: 878.43
• IUPAC Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine
• SMILES: Cc1cc(C)c(C(c2ccc(N(c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c3ccccc3-c3ccccc3)cc2)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C64H54N4/c1-42-38-44(3)59(45(4)39-42)61(60-46(5)40-43(2)41-47(60)6)51-34-36-52(37-35-51)68(58-33-21-20-30-55(58)50-26-14-9-15-27-50)64-66-62(56-31-18-16-28-53(56)48-22-10-7-11-23-48)65-63(67-64)57-32-19-17-29-54(57)49-24-12-8-13-25-49/h7-41,61H,1-6H3
• InChIKey: GDWFVAVCTOTBHV-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.16
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine?

The IUPAC name of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine (CID 177074332) is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine.

What is the SMILES notation for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine?

The canonical SMILES for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine is Cc1cc(C)c(C(c2ccc(N(c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c3ccccc3-c3ccccc3)cc2)c2c(C)cc(C)cc2C)c(C)c1.

What is the InChIKey of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine?

The InChIKey is GDWFVAVCTOTBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N4/c1-42-38-44(3)59(45(4)39-42)61(60-46(5)40-43(2)41-47(60)6)51-34-36-52(37-35-51)68(58-33-21-20-30-55(58)50-26-14-9-15-27-50)64-66-62(56-31-18-16-28-53(56)48-22-10-7-11-23-48)65-63(67-64)57-32-19-17-29-54(57)49-24-12-8-13-25-49/h7-41,61H,1-6H3.

What are the key properties of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine?

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 879.16 g/mol, XLogP of 16.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 177074332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).