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

C60H50N6 — CID 177073823

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

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 177073823) has the molecular formula C60H50N6 and a molecular weight of 855.10 g/mol. Its IUPAC name is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine
• PubChem CID: 177073823
• Molecular Formula: C60H50N6
• Molecular Weight: 855.10 g/mol
• Exact Mass: 854.41
• IUPAC Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine
• SMILES: Cc1cc(C)c(C(c2ccc(N(c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)cc2)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C60H50N6/c1-38-33-40(3)54(41(4)34-38)56(55-42(5)35-39(2)36-43(55)6)46-29-31-49(32-30-46)66(53-37-52(45-20-10-7-11-21-45)61-57(62-53)47-22-12-8-13-23-47)60-64-58(48-24-14-9-15-25-48)63-59(65-60)51-28-18-26-44-19-16-17-27-50(44)51/h7-37,56H,1-6H3
• InChIKey: MZSCRZBITZFBRR-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 67.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.10
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine?

The IUPAC name of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine (CID 177073823) is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine.

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

The canonical SMILES for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine is Cc1cc(C)c(C(c2ccc(N(c3cc(-c4ccccc4)nc(-c4ccccc4)n3)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]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine?

The InChIKey is MZSCRZBITZFBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N6/c1-38-33-40(3)54(41(4)34-38)56(55-42(5)35-39(2)36-43(55)6)46-29-31-49(32-30-46)66(53-37-52(45-20-10-7-11-21-45)61-57(62-53)47-22-12-8-13-23-47)60-64-58(48-24-14-9-15-25-48)63-59(65-60)51-28-18-26-44-19-16-17-27-50(44)51/h7-37,56H,1-6H3.

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

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 855.10 g/mol, XLogP of 14.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 177073823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).