N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine

C61H56N4 — CID 177073778

About N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine

N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine (PubChem CID 177073778) has the molecular formula C61H56N4 and a molecular weight of 845.15 g/mol. Its IUPAC name is N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine
• PubChem CID: 177073778
• Molecular Formula: C61H56N4
• Molecular Weight: 845.15 g/mol
• Exact Mass: 844.45
• IUPAC Name: N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine
• SMILES: Cc1cc(C)c(C(c2c(C)cc(C)cc2C)c2c(C)cc(C)c(N(c3ccccc3)c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2C)c(C)c1
• InChI: InChI=1S/C61H56N4/c1-38-30-40(3)54(41(4)31-38)57(55-42(5)32-39(2)33-43(55)6)56-44(7)34-45(8)58(46(56)9)65(53-28-20-13-21-29-53)61-63-59(49-26-18-12-19-27-49)62-60(64-61)52-36-50(47-22-14-10-15-23-47)35-51(37-52)48-24-16-11-17-25-48/h10-37,57H,1-9H3
• InChIKey: JXVGBNWQJPHHPO-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.15
LogP ≤ 5	15.97
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-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine?

The IUPAC name of N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine (CID 177073778) is N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine.

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

The canonical SMILES for N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine is Cc1cc(C)c(C(c2c(C)cc(C)cc2C)c2c(C)cc(C)c(N(c3ccccc3)c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2C)c(C)c1.

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

The InChIKey is JXVGBNWQJPHHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H56N4/c1-38-30-40(3)54(41(4)31-38)57(55-42(5)32-39(2)33-43(55)6)56-44(7)34-45(8)58(46(56)9)65(53-28-20-13-21-29-53)61-63-59(49-26-18-12-19-27-49)62-60(64-61)52-36-50(47-22-14-10-15-23-47)35-51(37-52)48-24-16-11-17-25-48/h10-37,57H,1-9H3.

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

N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 845.15 g/mol, XLogP of 15.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 177073778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).