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

C62H52N4 — CID 177074111

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

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 177074111) has the molecular formula C62H52N4 and a molecular weight of 853.13 g/mol. Its IUPAC name is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine
• PubChem CID: 177074111
• Molecular Formula: C62H52N4
• Molecular Weight: 853.13 g/mol
• Exact Mass: 852.42
• IUPAC Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine
• SMILES: Cc1cc(C)c(C(c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)cc2)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C62H52N4/c1-40-36-42(3)57(43(4)37-40)59(58-44(5)38-41(2)39-45(58)6)49-30-34-52(35-31-49)66(51-32-28-48(29-33-51)54-25-16-15-24-53(54)46-18-9-7-10-19-46)62-64-60(50-21-11-8-12-22-50)63-61(65-62)56-27-17-23-47-20-13-14-26-55(47)56/h7-39,59H,1-6H3
• InChIKey: KUIGILWWNSQYIR-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.13
LogP ≤ 5	16.19
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]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine?

The IUPAC name of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine (CID 177074111) is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine.

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

The canonical SMILES for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine is Cc1cc(C)c(C(c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)cc2)c2c(C)cc(C)cc2C)c(C)c1.

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

The InChIKey is KUIGILWWNSQYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N4/c1-40-36-42(3)57(43(4)37-40)59(58-44(5)38-41(2)39-45(58)6)49-30-34-52(35-31-49)66(51-32-28-48(29-33-51)54-25-16-15-24-53(54)46-18-9-7-10-19-46)62-64-60(50-21-11-8-12-22-50)63-61(65-62)56-27-17-23-47-20-13-14-26-55(47)56/h7-39,59H,1-6H3.

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

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 853.13 g/mol, XLogP of 16.19, 10 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]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 177074111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).