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

C71H57N7 — CID 177073961

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

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 177073961) has the molecular formula C71H57N7 and a molecular weight of 1008.29 g/mol. Its IUPAC name is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-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-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine
• PubChem CID: 177073961
• Molecular Formula: C71H57N7
• Molecular Weight: 1008.29 g/mol
• Exact Mass: 1007.47
• IUPAC Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine
• SMILES: Cc1cc(C)c(C(c2ccc(N(c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)cc2)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C71H57N7/c1-45-38-47(3)63(48(4)39-45)65(64-49(5)40-46(2)41-50(64)6)54-34-36-60(37-35-54)78(71-75-67(56-29-17-10-18-30-56)73-69(77-71)62-33-21-31-53-26-19-20-32-61(53)62)70-74-66(55-27-15-9-16-28-55)72-68(76-70)59-43-57(51-22-11-7-12-23-51)42-58(44-59)52-24-13-8-14-25-52/h7-44,65H,1-6H3
• InChIKey: OTKDVEQMRLFYAY-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 80.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.29
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-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-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine (CID 177073961) is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-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-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-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-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine is Cc1cc(C)c(C(c2ccc(N(c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)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-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine?

The InChIKey is OTKDVEQMRLFYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H57N7/c1-45-38-47(3)63(48(4)39-45)65(64-49(5)40-46(2)41-50(64)6)54-34-36-60(37-35-54)78(71-75-67(56-29-17-10-18-30-56)73-69(77-71)62-33-21-31-53-26-19-20-32-61(53)62)70-74-66(55-27-15-9-16-28-55)72-68(76-70)59-43-57(51-22-11-7-12-23-51)42-58(44-59)52-24-13-8-14-25-52/h7-44,65H,1-6H3.

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

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 1008.29 g/mol, XLogP of 17.71, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 177073961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).