2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine

C41H32N4 — CID 140838537

About 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine

2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine (PubChem CID 140838537) has the molecular formula C41H32N4 and a molecular weight of 580.74 g/mol. Its IUPAC name is 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 140838537
• Molecular Formula: C41H32N4
• Molecular Weight: 580.74 g/mol
• Exact Mass: 580.26
• IUPAC Name: 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
• SMILES: Cc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(Cc5ccccc5)nc(-c5ccccc5)n4)cn3)cc2)c1
• InChI: InChI=1S/C41H32N4/c1-28-23-29(2)25-35(24-28)37-16-10-9-15-36(37)31-17-19-32(20-18-31)38-22-21-34(27-42-38)41-44-39(26-30-11-5-3-6-12-30)43-40(45-41)33-13-7-4-8-14-33/h3-25,27H,26H2,1-2H3
• InChIKey: QHTOZSDGPPWOIR-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.74
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine (CID 140838537) is 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine is Cc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(Cc5ccccc5)nc(-c5ccccc5)n4)cn3)cc2)c1.

What is the InChIKey of 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine?

The InChIKey is QHTOZSDGPPWOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N4/c1-28-23-29(2)25-35(24-28)37-16-10-9-15-36(37)31-17-19-32(20-18-31)38-22-21-34(27-42-38)41-44-39(26-30-11-5-3-6-12-30)43-40(45-41)33-13-7-4-8-14-33/h3-25,27H,26H2,1-2H3.

What are the key properties of 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine?

2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine has a molecular weight of 580.74 g/mol, XLogP of 9.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 140838537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).