9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

C52H34N4 — CID 139356717

About 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 139356717) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• PubChem CID: 139356717
• Molecular Formula: C52H34N4
• Molecular Weight: 714.87 g/mol
• Exact Mass: 714.28
• IUPAC Name: 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• SMILES: Cc1cccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)c1
• InChI: InChI=1S/C52H34N4/c1-33-12-10-14-37(30-33)51-53-50(54-52(55-51)38-28-29-44-42-18-3-2-16-40(42)41-17-4-5-19-43(41)47(44)32-38)35-26-24-34(25-27-35)36-13-11-15-39(31-36)56-48-22-8-6-20-45(48)46-21-7-9-23-49(46)56/h2-32H,1H3
• InChIKey: QMDRZJMFQJDFQI-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.87
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 139356717) is 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is Cc1cccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)c1.

What is the InChIKey of 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?

The InChIKey is QMDRZJMFQJDFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-33-12-10-14-37(30-33)51-53-50(54-52(55-51)38-28-29-44-42-18-3-2-16-40(42)41-17-4-5-19-43(41)47(44)32-38)35-26-24-34(25-27-35)36-13-11-15-39(31-36)56-48-22-8-6-20-45(48)46-21-7-9-23-49(46)56/h2-32H,1H3.

What are the key properties of 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?

9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 714.87 g/mol, XLogP of 13.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 139356717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).