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

C70H58N4 — CID 177074300

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

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 177074300) has the molecular formula C70H58N4 and a molecular weight of 955.26 g/mol. Its IUPAC name is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine
• PubChem CID: 177074300
• Molecular Formula: C70H58N4
• Molecular Weight: 955.26 g/mol
• Exact Mass: 954.47
• IUPAC Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine
• SMILES: Cc1cc(C)c(C(c2ccc(N(c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c3ccccc3-c3ccccc3)cc2)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C70H58N4/c1-46-38-48(3)65(49(4)39-46)67(66-50(5)40-47(2)41-51(66)6)56-34-36-62(37-35-56)74(64-33-20-19-32-63(64)55-28-17-10-18-29-55)70-72-68(58-31-21-30-57(42-58)52-22-11-7-12-23-52)71-69(73-70)61-44-59(53-24-13-8-14-25-53)43-60(45-61)54-26-15-9-16-27-54/h7-45,67H,1-6H3
• InChIKey: RZBVJFFWJBRIKY-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.26
LogP ≤ 5	18.37
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-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine?

The IUPAC name of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine (CID 177074300) is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine.

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

The canonical SMILES for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine is Cc1cc(C)c(C(c2ccc(N(c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)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]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine?

The InChIKey is RZBVJFFWJBRIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H58N4/c1-46-38-48(3)65(49(4)39-46)67(66-50(5)40-47(2)41-51(66)6)56-34-36-62(37-35-56)74(64-33-20-19-32-63(64)55-28-17-10-18-29-55)70-72-68(58-31-21-30-57(42-58)52-22-11-7-12-23-52)71-69(73-70)61-44-59(53-24-13-8-14-25-53)43-60(45-61)54-26-15-9-16-27-54/h7-45,67H,1-6H3.

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

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 955.26 g/mol, XLogP of 18.37, 12 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-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 177074300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).