2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

C41H29N3 — CID 130355577

About 2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 130355577) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 130355577
• Molecular Formula: C41H29N3
• Molecular Weight: 563.70 g/mol
• Exact Mass: 563.24
• IUPAC Name: 2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
• SMILES: Cc1cc(C)cc(-c2c3ccccc3c(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)c3ccccc23)c1
• InChI: InChI=1S/C41H29N3/c1-26-23-27(2)25-30(24-26)37-32-18-8-10-20-34(32)38(35-21-11-9-19-33(35)37)41-43-39(29-14-4-3-5-15-29)42-40(44-41)36-22-12-16-28-13-6-7-17-31(28)36/h3-25H,1-2H3
• InChIKey: RPUMNYJMKXNUKF-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.70
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 130355577) is 2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is Cc1cc(C)cc(-c2c3ccccc3c(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)c3ccccc23)c1.

What is the InChIKey of 2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?

The InChIKey is RPUMNYJMKXNUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-26-23-27(2)25-30(24-26)37-32-18-8-10-20-34(32)38(35-21-11-9-19-33(35)37)41-43-39(29-14-4-3-5-15-29)42-40(44-41)36-22-12-16-28-13-6-7-17-31(28)36/h3-25H,1-2H3.

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

2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 563.70 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 130355577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).