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

C56H48N4 — CID 177074442

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

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine (PubChem CID 177074442) has the molecular formula C56H48N4 and a molecular weight of 777.03 g/mol. Its IUPAC name is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine
• PubChem CID: 177074442
• Molecular Formula: C56H48N4
• Molecular Weight: 777.03 g/mol
• Exact Mass: 776.39
• IUPAC Name: N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine
• SMILES: Cc1cc(C)c(C(c2ccc(N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccc4ccccc4c3-c3ccccc3)cc2)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C56H48N4/c1-36-32-38(3)50(39(4)33-36)53(51-40(5)34-37(2)35-41(51)6)44-26-29-47(30-27-44)60(49-31-28-42-18-16-17-25-48(42)52(49)43-19-10-7-11-20-43)56-58-54(45-21-12-8-13-22-45)57-55(59-56)46-23-14-9-15-24-46/h7-35,53H,1-6H3
• InChIKey: GQXZVFWAJQTEFQ-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.03
LogP ≤ 5	14.53
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]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine?

The IUPAC name of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine (CID 177074442) is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine.

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

The canonical SMILES for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine is Cc1cc(C)c(C(c2ccc(N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccc4ccccc4c3-c3ccccc3)cc2)c2c(C)cc(C)cc2C)c(C)c1.

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

The InChIKey is GQXZVFWAJQTEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N4/c1-36-32-38(3)50(39(4)33-36)53(51-40(5)34-37(2)35-41(51)6)44-26-29-47(30-27-44)60(49-31-28-42-18-16-17-25-48(42)52(49)43-19-10-7-11-20-43)56-58-54(45-21-12-8-13-22-45)57-55(59-56)46-23-14-9-15-24-46/h7-35,53H,1-6H3.

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

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 777.03 g/mol, XLogP of 14.53, 9 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]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 177074442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).