2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine

C59H37N3 — CID 138553182

About 2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine (PubChem CID 138553182) has the molecular formula C59H37N3 and a molecular weight of 787.97 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine
• PubChem CID: 138553182
• Molecular Formula: C59H37N3
• Molecular Weight: 787.97 g/mol
• Exact Mass: 787.30
• IUPAC Name: 2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c5ccccc45)c3)n2)cc1
• InChI: InChI=1S/C59H37N3/c1-3-18-38(19-4-1)57-60-58(39-20-5-2-6-21-39)62-59(61-57)42-23-17-22-40(36-42)55-50-30-13-15-32-52(50)56(53-33-16-14-31-51(53)55)41-34-35-49-47-28-10-9-26-45(47)43-24-7-8-25-44(43)46-27-11-12-29-48(46)54(49)37-41/h1-37H/b45-43-,46-44-,49-47-,54-48-
• InChIKey: CJYRRUBLQLMWFI-NKUWRCMOSA-N
• XLogP: 15.49
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.97
LogP ≤ 5	15.49
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 2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine (CID 138553182) is 2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c5ccccc45)c3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine?

The InChIKey is CJYRRUBLQLMWFI-NKUWRCMOSA-N. The full InChI is InChI=1S/C59H37N3/c1-3-18-38(19-4-1)57-60-58(39-20-5-2-6-21-39)62-59(61-57)42-23-17-22-40(36-42)55-50-30-13-15-32-52(50)56(53-33-16-14-31-51(53)55)41-34-35-49-47-28-10-9-26-45(47)43-24-7-8-25-44(43)46-27-11-12-29-48(46)54(49)37-41/h1-37H/b45-43-,46-44-,49-47-,54-48-.

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

2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 787.97 g/mol, XLogP of 15.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 138553182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).