2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine

C42H30N4 — CID 155773765

About 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine

2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine (PubChem CID 155773765) has the molecular formula C42H30N4 and a molecular weight of 590.73 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
• PubChem CID: 155773765
• Molecular Formula: C42H30N4
• Molecular Weight: 590.73 g/mol
• Exact Mass: 590.25
• IUPAC Name: 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
• SMILES: Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)c(C)n1
• InChI: InChI=1S/C42H30N4/c1-27-24-25-33(28(2)43-27)42-45-40(30-16-7-4-8-17-30)44-41(46-42)32-19-13-18-31(26-32)39-36-22-11-9-20-34(36)38(29-14-5-3-6-15-29)35-21-10-12-23-37(35)39/h3-26H,1-2H3
• InChIKey: QQJOSOROPVWNJG-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.73
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine (CID 155773765) is 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)c(C)n1.

What is the InChIKey of 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine?

The InChIKey is QQJOSOROPVWNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4/c1-27-24-25-33(28(2)43-27)42-45-40(30-16-7-4-8-17-30)44-41(46-42)32-19-13-18-31(26-32)39-36-22-11-9-20-34(36)38(29-14-5-3-6-15-29)35-21-10-12-23-37(35)39/h3-26H,1-2H3.

What are the key properties of 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine?

2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 590.73 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 155773765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).