2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine

C42H25F2N3 — CID 134271790

About 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine

2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 134271790) has the molecular formula C42H25F2N3 and a molecular weight of 609.68 g/mol. Its IUPAC name is 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 134271790
• Molecular Formula: C42H25F2N3
• Molecular Weight: 609.68 g/mol
• Exact Mass: 609.20
• IUPAC Name: 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
• SMILES: FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3c4ccccc4cc4ccccc34)ccc21
• InChI: InChI=1S/C42H25F2N3/c43-42(44)36-21-19-30(38-32-17-9-7-15-28(32)23-29-16-8-10-18-33(29)38)24-34(36)35-25-31(20-22-37(35)42)41-46-39(26-11-3-1-4-12-26)45-40(47-41)27-13-5-2-6-14-27/h1-25H
• InChIKey: TZWWLBIZFVAHHW-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.68
LogP ≤ 5	10.97
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-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 134271790) is 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine is FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3c4ccccc4cc4ccccc34)ccc21.

What is the InChIKey of 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?

The InChIKey is TZWWLBIZFVAHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F2N3/c43-42(44)36-21-19-30(38-32-17-9-7-15-28(32)23-29-16-8-10-18-33(29)38)24-34(36)35-25-31(20-22-37(35)42)41-46-39(26-11-3-1-4-12-26)45-40(47-41)27-13-5-2-6-14-27/h1-25H.

What are the key properties of 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?

2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 609.68 g/mol, XLogP of 10.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134271790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).