2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine

C88H51FN6 — CID 137458945

About 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine

2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine (PubChem CID 137458945) has the molecular formula C88H51FN6 and a molecular weight of 1211.42 g/mol. Its IUPAC name is 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine
• PubChem CID: 137458945
• Molecular Formula: C88H51FN6
• Molecular Weight: 1211.42 g/mol
• Exact Mass: 1210.42
• IUPAC Name: 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine
• SMILES: Fc1ccc2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(-c7ccc8c9ccc(-c%10nc(-c%11ccc(-c%12ccccc%12)cc%11)nc(-c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11)n%10)cc9c9ccccc9c8c7)cccc6c5)n4)cc3c3ccccc3c2c1
• InChI: InChI=1S/C88H51FN6/c89-62-39-45-77-76-44-38-60(50-81(76)71-27-13-14-28-72(71)82(77)51-62)86-91-83(54-18-5-2-6-19-54)90-85(94-86)58-35-40-64-56(46-58)20-15-29-63(64)57-34-41-74-75-43-37-61(49-80(75)70-26-12-11-25-69(70)78(74)47-57)88-93-84(55-32-30-53(31-33-55)52-16-3-1-4-17-52)92-87(95-88)59-36-42-73-67-23-8-7-21-65(67)66-22-9-10-24-68(66)79(73)48-59/h1-51H
• InChIKey: XLDFWWRMKRIAHU-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1211.42
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine?

The IUPAC name of 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine (CID 137458945) is 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine.

What is the SMILES notation for 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine?

The canonical SMILES for 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine is Fc1ccc2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(-c7ccc8c9ccc(-c%10nc(-c%11ccc(-c%12ccccc%12)cc%11)nc(-c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11)n%10)cc9c9ccccc9c8c7)cccc6c5)n4)cc3c3ccccc3c2c1.

What is the InChIKey of 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine?

The InChIKey is XLDFWWRMKRIAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H51FN6/c89-62-39-45-77-76-44-38-60(50-81(76)71-27-13-14-28-72(71)82(77)51-62)86-91-83(54-18-5-2-6-19-54)90-85(94-86)58-35-40-64-56(46-58)20-15-29-63(64)57-34-41-74-75-43-37-61(49-80(75)70-26-12-11-25-69(70)78(74)47-57)88-93-84(55-32-30-53(31-33-55)52-16-3-1-4-17-52)92-87(95-88)59-36-42-73-67-23-8-7-21-65(67)66-22-9-10-24-68(66)79(73)48-59/h1-51H.

What are the key properties of 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine?

2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 1211.42 g/mol, XLogP of 23.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 137458945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).