2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C53H44N6 — CID 174267888

About 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 174267888) has the molecular formula C53H44N6 and a molecular weight of 764.98 g/mol. Its IUPAC name is 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 174267888
• Molecular Formula: C53H44N6
• Molecular Weight: 764.98 g/mol
• Exact Mass: 764.36
• IUPAC Name: 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: Cc1c(C)c(C)c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2C2=NC(c3ccccc3)=NC(c3ccccc3)N2)c(C)c1C
• InChI: InChI=1S/C53H44N6/c1-33-34(2)36(4)47(37(5)35(33)3)46-32-42(52-56-48(38-20-10-6-11-21-38)54-49(57-52)39-22-12-7-13-23-39)30-31-44(46)43-28-18-19-29-45(43)53-58-50(40-24-14-8-15-25-40)55-51(59-53)41-26-16-9-17-27-41/h6-32,50H,1-5H3,(H,55,58,59)
• InChIKey: PBJHWDKQSYNYPJ-UHFFFAOYSA-N
• XLogP: 12.24
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.98
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 174267888) is 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1c(C)c(C)c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2C2=NC(c3ccccc3)=NC(c3ccccc3)N2)c(C)c1C.

What is the InChIKey of 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is PBJHWDKQSYNYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N6/c1-33-34(2)36(4)47(37(5)35(33)3)46-32-42(52-56-48(38-20-10-6-11-21-38)54-49(57-52)39-22-12-7-13-23-39)30-31-44(46)43-28-18-19-29-45(43)53-58-50(40-24-14-8-15-25-40)55-51(59-53)41-26-16-9-17-27-41/h6-32,50H,1-5H3,(H,55,58,59).

What are the key properties of 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 764.98 g/mol, XLogP of 12.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 174267888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).