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

C46H28N6 — CID 168835795

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

2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole (PubChem CID 168835795) has the molecular formula C46H28N6 and a molecular weight of 664.77 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

• Compound Name: 2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
• PubChem CID: 168835795
• Molecular Formula: C46H28N6
• Molecular Weight: 664.77 g/mol
• Exact Mass: 664.24
• IUPAC Name: 2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-n3c4ccccc4c4ccc(-c5cn6ccccc6n5)cc43)n2)cc1
• InChI: InChI=1S/C46H28N6/c1-2-12-29(13-3-1)44-48-45(31-22-23-36-34-16-5-4-14-32(34)33-15-6-7-17-35(33)39(36)26-31)50-46(49-44)52-41-19-9-8-18-37(41)38-24-21-30(27-42(38)52)40-28-51-25-11-10-20-43(51)47-40/h1-28H
• InChIKey: RITQJOBOWDJQGQ-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 60.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.77
LogP ≤ 5	11.08
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-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole?

The IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole (CID 168835795) is 2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole.

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

The canonical SMILES for 2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-n3c4ccccc4c4ccc(-c5cn6ccccc6n5)cc43)n2)cc1.

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

The InChIKey is RITQJOBOWDJQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6/c1-2-12-29(13-3-1)44-48-45(31-22-23-36-34-16-5-4-14-32(34)33-15-6-7-17-35(33)39(36)26-31)50-46(49-44)52-41-19-9-8-18-37(41)38-24-21-30(27-42(38)52)40-28-51-25-11-10-20-43(51)47-40/h1-28H.

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

2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 664.77 g/mol, XLogP of 11.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 168835795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).