4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine

C66H54N8 — CID 177074330

About 4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine

4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine (PubChem CID 177074330) has the molecular formula C66H54N8 and a molecular weight of 959.21 g/mol. Its IUPAC name is 4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
• PubChem CID: 177074330
• Molecular Formula: C66H54N8
• Molecular Weight: 959.21 g/mol
• Exact Mass: 958.45
• IUPAC Name: 4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
• SMILES: Cc1cc(C)c(N(c2ccc(N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc2)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C66H54N8/c1-43-36-45(3)59(46(4)37-43)73(60-47(5)38-44(2)39-48(60)6)57-32-34-58(35-33-57)74(65-69-61(51-26-16-9-17-27-51)67-62(70-65)52-28-18-10-19-29-52)66-71-63(53-30-20-11-21-31-53)68-64(72-66)56-41-54(49-22-12-7-13-23-49)40-55(42-56)50-24-14-8-15-25-50/h7-42H,1-6H3
• InChIKey: HZOIYYGQFZCBDH-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 83.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.21
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine?

The IUPAC name of 4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine (CID 177074330) is 4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine.

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

The canonical SMILES for 4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine is Cc1cc(C)c(N(c2ccc(N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc2)c2c(C)cc(C)cc2C)c(C)c1.

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

The InChIKey is HZOIYYGQFZCBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N8/c1-43-36-45(3)59(46(4)37-43)73(60-47(5)38-44(2)39-48(60)6)57-32-34-58(35-33-57)74(65-69-61(51-26-16-9-17-27-51)67-62(70-65)52-28-18-10-19-29-52)66-71-63(53-30-20-11-21-31-53)68-64(72-66)56-41-54(49-22-12-7-13-23-49)40-55(42-56)50-24-14-8-15-25-50/h7-42H,1-6H3.

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

4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine has a molecular weight of 959.21 g/mol, XLogP of 16.85, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 177074330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).