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

C61H51N5 — CID 177074340

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

1-N-(3,5-diphenylphenyl)-1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine (PubChem CID 177074340) has the molecular formula C61H51N5 and a molecular weight of 854.11 g/mol. Its IUPAC name is 1-N-(3,5-diphenylphenyl)-1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-(3,5-diphenylphenyl)-1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
• PubChem CID: 177074340
• Molecular Formula: C61H51N5
• Molecular Weight: 854.11 g/mol
• Exact Mass: 853.41
• IUPAC Name: 1-N-(3,5-diphenylphenyl)-1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
• SMILES: Cc1cc(C)c(N(c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc2)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C61H51N5/c1-40-32-42(3)57(43(4)33-40)66(58-44(5)34-41(2)35-45(58)6)55-30-28-54(29-31-55)65(56-38-52(46-18-10-7-11-19-46)37-53(39-56)47-20-12-8-13-21-47)61-63-59(49-23-14-9-15-24-49)62-60(64-61)51-27-26-48-22-16-17-25-50(48)36-51/h7-39H,1-6H3
• InChIKey: PNOSXIBKBMXBLT-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 45.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.11
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-N-(3,5-diphenylphenyl)-1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine (CID 177074340) is 1-N-(3,5-diphenylphenyl)-1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine.

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

The canonical SMILES for 1-N-(3,5-diphenylphenyl)-1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine is Cc1cc(C)c(N(c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc2)c2c(C)cc(C)cc2C)c(C)c1.

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

The InChIKey is PNOSXIBKBMXBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H51N5/c1-40-32-42(3)57(43(4)33-40)66(58-44(5)34-41(2)35-45(58)6)55-30-28-54(29-31-55)65(56-38-52(46-18-10-7-11-19-46)37-53(39-56)47-20-12-8-13-21-47)61-63-59(49-23-14-9-15-24-49)62-60(64-61)51-27-26-48-22-16-17-25-50(48)36-51/h7-39H,1-6H3.

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

1-N-(3,5-diphenylphenyl)-1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine has a molecular weight of 854.11 g/mol, XLogP of 16.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(3,5-diphenylphenyl)-1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 177074340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).