7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline

C56H34N4 — CID 153466132

About 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline

7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline (PubChem CID 153466132) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline.

Molecular Properties

• Compound Name: 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
• PubChem CID: 153466132
• Molecular Formula: C56H34N4
• Molecular Weight: 762.92 g/mol
• Exact Mass: 762.28
• IUPAC Name: 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
• SMILES: c1ccc(-c2nc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5cc5ccccc45)c3)nc(-c3ccc4cc5ncccc5cc4c3)n2)cc1
• InChI: InChI=1S/C56H34N4/c1-2-13-35(14-3-1)54-58-55(42-25-24-36-34-51-41(19-12-26-57-51)29-43(36)30-42)60-56(59-54)46-32-44(52-47-20-8-4-15-37(47)27-38-16-5-9-21-48(38)52)31-45(33-46)53-49-22-10-6-17-39(49)28-40-18-7-11-23-50(40)53/h1-34H
• InChIKey: TXSQOTUNPLLLBG-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.92
LogP ≤ 5	14.52
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 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?

The IUPAC name of 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline (CID 153466132) is 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline.

What is the SMILES notation for 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?

The canonical SMILES for 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline is c1ccc(-c2nc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5cc5ccccc45)c3)nc(-c3ccc4cc5ncccc5cc4c3)n2)cc1.

What is the InChIKey of 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?

The InChIKey is TXSQOTUNPLLLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-2-13-35(14-3-1)54-58-55(42-25-24-36-34-51-41(19-12-26-57-51)29-43(36)30-42)60-56(59-54)46-32-44(52-47-20-8-4-15-37(47)27-38-16-5-9-21-48(38)52)31-45(33-46)53-49-22-10-6-17-39(49)28-40-18-7-11-23-50(40)53/h1-34H.

What are the key properties of 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?

7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline has a molecular weight of 762.92 g/mol, XLogP of 14.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline is sourced from PubChem (CID 153466132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).